data_2y4w_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 2y4w _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -80.0 -31.92 1.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.365 2.043 . . . . 0.0 111.857 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . . . -61.82 -33.97 75.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -68.85 -45.53 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.113 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HD3' HH21 ' A' ' 11' ' ' ARG . 42.4 ttm180 -59.03 -42.27 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.039 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -58.95 -44.15 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HB2' HD12 ' A' ' 33' ' ' ILE . 90.8 mt -59.17 -29.95 67.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.55 -32.76 64.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 HH21 ' HD3' ' A' ' 7' ' ' ARG . 97.5 mtt180 -74.83 -28.37 60.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.745 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.02 -37.63 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.245 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.06 -53.09 62.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.247 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.08 -38.55 83.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.47 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tpp180 -66.73 -26.7 67.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -71.45 -35.51 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -69.8 -33.69 72.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -64.15 -39.17 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -162.3 84.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.61 155.65 44.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.585 2.19 . . . . 0.0 112.312 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.6 137.57 46.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.376 2.05 . . . . 0.0 112.182 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.41 132.76 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.63 -27.95 17.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.716 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 HE21 ' A' ' 110' ' ' GLN . 16.9 m -138.65 143.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 111.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.7 m -123.5 141.82 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.492 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -151.94 89.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.581 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.2 53.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.505 0.193 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.56 128.61 12.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.552 2.168 . . . . 0.0 112.28 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 t -96.76 -89.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.7 -36.02 9.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 35' ' ' GLN . 7.1 p30 -60.33 146.18 45.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.791 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.34 176.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.389 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 9' ' ' LEU . 18.8 tt -57.63 -22.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.391 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -63.63 -61.04 2.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . 35.1 tt0 -91.35 134.33 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -118.43 160.78 21.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -111.79 110.74 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.287 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.18 149.79 50.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 111.703 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.99 136.69 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 82.6 mt -121.7 129.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.089 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 92.1 m-85 -100.46 145.31 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.592 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.34 142.38 42.77 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.5 173.98 3.12 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.48 2.12 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.59 129.83 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.26 26.44 23.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.5 p -135.25 158.49 74.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.396 0.141 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.73 -1.42 5.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.444 2.096 . . . . 0.0 112.249 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.613 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 20.9 m-85 -105.2 -9.91 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.65 -39.27 67.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.988 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.35 -21.61 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.88 169.23 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.987 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -132.85 137.1 46.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -133.01 133.51 43.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 54' ' ' LYS . 10.9 mptt -114.32 139.82 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.134 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.77 155.72 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.94 141.67 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.509 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.4 mp -112.33 109.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.587 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.5 123.78 33.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -100.71 163.86 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.9 p -127.78 151.99 48.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.64 9.48 9.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -60.63 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.59 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 99.0 m-85 -144.27 152.55 54.35 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.43 -12.64 34.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.599 2.199 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -117.42 4.8 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -74.44 130.88 81.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.02 109.15 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.478 2.118 . . . . 0.0 112.396 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.0 -172.0 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.424 2.083 . . . . 0.0 112.524 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.6 m -130.79 135.03 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG21 HG13 ' A' ' 57' ' ' ILE . 14.6 p -141.4 146.8 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -162.9 148.18 11.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.626 ' HD1' ' CD2' ' A' ' 72' ' ' PHE . 33.9 m-85 -75.21 139.76 42.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.74 -31.65 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.803 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 53.7 m -96.09 124.33 40.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.76 109.17 5.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.43 ' HB3' HD13 ' A' ' 144' ' ' ILE . 25.8 mmt -133.91 163.94 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.187 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -85.01 129.26 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 94.7 m-70 -135.67 157.46 76.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 30.8 Cg_endo -62.96 -28.54 75.14 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.616 2.211 . . . . 0.0 112.23 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -147.72 119.62 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -153.55 146.51 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -87.11 172.53 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.69 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -88.46 -11.2 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.74 -0.29 60.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 m -66.6 167.02 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.781 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.1 mp -105.34 143.52 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.26 153.95 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -63.15 -22.95 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.6 mt -71.69 -33.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HB3' HE22 ' A' ' 93' ' ' GLN . 56.6 tp -59.06 -25.39 63.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.431 HE22 ' HB3' ' A' ' 92' ' ' LEU . 2.2 mp0 -82.98 -169.26 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.18 -0.21 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -72.3 -11.44 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.058 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -61.23 127.24 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 m -99.0 138.43 20.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.42 2.6 7.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.437 2.091 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.7 m -81.55 -39.98 23.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.668 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 87.0 m-85 -75.92 174.2 10.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.06 -175.74 2.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.208 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.14 -27.77 42.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -56.23 -32.67 64.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -61.22 -35.4 77.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -32.44 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.723 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.492 HD12 ' HA3' ' A' ' 26' ' ' GLY . 96.5 mt -70.33 -43.98 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.7 p -73.9 -27.28 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -60.5 -47.46 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.9 mt -72.52 -34.77 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.497 HE21 HG11 ' A' ' 24' ' ' VAL . 33.0 tt0 -57.88 -43.99 86.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -70.24 -29.64 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.1 tm? -58.21 -38.54 76.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.145 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.76 -43.2 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.9 -53.66 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.43 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.153 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo . . . . . 0 N--CA 1.465 -0.201 0 CA-C-O 120.819 0.258 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.19 -41.8 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.621 HD21 ' H ' ' A' ' 126' ' ' ALA . 4.6 t30 -112.06 93.3 4.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -64.55 -27.4 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.783 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.61 -48.2 82.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.245 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.621 ' H ' HD21 ' A' ' 123' ' ' ASN . . . -72.92 -46.99 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.27 64.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.263 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.96 -50.57 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.33 -27.01 61.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -61.66 -34.7 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -104.01 -11.49 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.69 -73.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -121.49 106.17 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.4 -27.47 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.794 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -29.72 67.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -81.42 -28.94 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.591 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 92.7 t80 -78.9 -45.64 20.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.404 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.18 -40.11 76.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.273 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.43 -32.37 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.66 -30.56 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.83 -54.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.0 m -62.65 -30.38 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.06 -53.55 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.574 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 76' ' ' MET . 45.3 pt -64.19 -35.46 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.621 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.59 -38.93 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -36.16 72.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.41 -40.16 95.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.433 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.4 t -105.38 16.6 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.127 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 4.3 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.862 -179.697 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.588 0.232 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.57 -31.48 60.09 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.75 2.3 . . . . 0.0 112.544 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 61' ' ' GLU . . . -71.64 -43.87 65.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.4 -30.04 70.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -70.57 -35.96 73.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -71.0 -30.76 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.15 -43.54 98.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.358 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 70.4 mtm -57.92 -31.9 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.719 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HD2' ' HE3' ' A' ' 14' ' ' LYS . 20.0 mmm180 -72.57 -33.26 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.2 -35.59 78.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 14.9 t80 -60.59 -50.13 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HE3' ' HD2' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -63.6 -37.61 87.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.194 0.521 . . . . 0.0 109.978 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -63.8 -27.69 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -75.66 -51.36 12.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.631 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -61.07 -28.23 68.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.802 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.27 -22.89 35.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -165.7 81.42 1.12 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.45 151.42 15.32 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.693 2.262 . . . . 0.0 112.128 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.7 133.06 21.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.29 1.993 . . . . 0.0 112.017 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 135.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 111.261 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.97 -18.62 56.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 106' ' ' LEU . 16.6 m -144.85 164.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.806 0.336 . . . . 0.0 111.303 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -144.22 151.14 39.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.86 88.23 0.11 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.689 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.86 154.22 70.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.11 106.9 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -86.26 -83.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -105.42 -21.39 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -76.19 145.63 39.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -63.31 -172.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.48 -28.65 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.23 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.525 ' HG3' ' H ' ' A' ' 35' ' ' GLN . 6.2 ptt? -62.15 -62.95 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' H ' ' HG3' ' A' ' 34' ' ' MET . 6.4 mp0 -95.05 143.03 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -123.28 147.43 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.626 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -100.43 114.4 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.89 149.18 51.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.318 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.3 t -133.47 132.48 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -117.58 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -100.61 140.71 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.24 142.35 42.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.34 160.56 30.71 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.471 2.114 . . . . 0.0 112.006 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.6 116.23 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.02 6.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 70.0 p -135.56 159.49 71.32 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.313 0.102 . . . . 0.0 110.937 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 36.2 Cg_endo -65.45 0.09 3.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.266 1.977 . . . . 0.0 112.388 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.633 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 46.3 m-85 -103.35 -13.85 16.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -28.2 64.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.923 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.09 -23.34 28.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.1 172.57 28.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.753 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -137.01 116.41 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.644 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 61.5 m-85 -101.05 159.91 14.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 111.415 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -139.72 150.72 45.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.625 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -154.74 159.48 40.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.187 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -116.9 149.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.9 mp -122.92 110.22 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.742 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.82 123.87 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 96.1 m-85 -103.17 152.85 20.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.5 p -115.39 149.05 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' HA ' ' HB1' ' A' ' 5' ' ' ALA . 12.2 pt-20 -83.08 10.2 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.35 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.1 m-85 -142.84 154.52 62.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 4.4 2.63 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.392 2.061 . . . . 0.0 112.511 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -131.76 1.17 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.5 tmtt? -65.25 136.67 96.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 85.8 Cg_exo -46.06 119.04 2.69 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.455 2.103 . . . . 0.0 112.608 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.56 -177.27 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.431 2.088 . . . . 0.0 112.7 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -131.13 114.95 15.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG22 HG12 ' A' ' 105' ' ' ILE . 67.3 t -134.01 139.91 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.406 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -171.31 138.28 1.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.32 125.94 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.82 -31.16 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.575 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -94.73 156.04 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.694 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.83 126.29 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.17 164.33 30.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.17 126.52 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -138.36 155.38 73.99 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.53 -16.57 36.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.441 2.094 . . . . 0.0 112.177 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.563 HD21 ' HB3' ' A' ' 88' ' ' CYS . 2.7 p-10 -145.85 119.03 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -154.41 152.04 10.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -95.07 178.64 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.807 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.96 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.17 -15.06 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.45 64.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -60.98 156.4 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.612 0.244 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.48 134.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.563 ' HB3' HD21 ' A' ' 80' ' ' ASN . 47.2 t -81.98 94.53 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 158.12 44.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.99 -38.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.01 -2.88 11.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -100.89 -162.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.774 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.14 -1.2 22.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -78.77 -7.43 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -61.28 137.18 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 49.6 m -116.44 130.51 24.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 23.1 Cg_exo -65.1 -9.36 21.45 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.1 m -72.82 -42.41 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.234 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -66.2 173.0 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -124.63 -171.57 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.357 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.76 -22.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.443 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -67.71 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.034 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -55.01 -52.43 63.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.517 HG12 HG22 ' A' ' 70' ' ' VAL . 3.2 tp -59.46 -42.12 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.42 ' HB3' HG22 ' A' ' 24' ' ' VAL . 4.5 mm? -60.01 -47.65 84.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.742 0.306 . . . . 0.0 111.172 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.1 p -70.2 -27.25 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.408 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -67.19 -45.7 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.136 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -72.98 -36.26 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.04 -43.95 98.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -67.81 -28.84 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' ' 112' ' ' LEU . 1.4 tm? -60.24 -31.91 70.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.026 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.97 -46.28 68.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.787 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.432 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 23.4 t70 -63.37 -68.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.072 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.432 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 43.0 mt-10 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.823 0.26 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.08 -40.72 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.14 96.8 5.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -26.67 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.26 -48.5 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.13 -54.03 44.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.77 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.878 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.04 -40.85 82.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.23 -26.82 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.623 ' HD1' ' CD2' ' A' ' 130' ' ' TYR . 87.0 t80 -61.08 -36.65 80.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.283 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.17 -18.83 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.326 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.14 -78.68 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -115.95 94.32 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.49 -24.2 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.26 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.93 -28.34 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.638 ' HD1' ' CD2' ' A' ' 137' ' ' TYR . 82.1 t80 -76.31 -44.48 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.97 -40.54 98.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.286 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -64.81 -31.63 72.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -69.78 -37.32 76.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -62.62 -30.36 71.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.36 -56.28 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.468 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.0 pt -61.26 -33.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.433 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.25 -38.0 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.06 -39.18 83.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.134 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.96 -32.5 72.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.4 t -104.64 16.4 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.833 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -80.9 -30.85 1.57 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.427 2.085 . . . . 0.0 112.119 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.494 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.65 -33.68 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HG3' HG22 ' A' ' 33' ' ' ILE . 72.3 ttt180 -70.4 -43.41 70.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.731 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -58.53 -44.64 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.218 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -59.36 -40.47 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.38 -36.77 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 59.3 mtt -58.54 -34.54 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -74.94 -28.84 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.33 -39.99 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.98 -45.94 79.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -54.4 -38.41 66.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.021 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -79.1 -25.37 43.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -46.71 63.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.49 -34.57 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.404 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.43 -34.1 48.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -150.23 81.6 6.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.62 156.13 66.56 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.284 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.8 154.18 62.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.507 2.138 . . . . 0.0 112.179 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.71 121.24 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.98 -36.8 3.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.127 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.51 145.62 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.804 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m -132.06 133.56 44.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.03 124.2 2.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.91 151.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.434 0.159 . . . . 0.0 111.006 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.6 124.44 10.74 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.407 2.071 . . . . 0.0 112.12 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.7 p -65.42 -70.34 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -173.45 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -65.98 99.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 56.12 -167.97 0.1 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.496 HG22 ' HG3' ' A' ' 6' ' ' ARG . 20.2 tt -114.2 -7.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -80.81 -40.13 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.89 111.72 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -117.79 134.85 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -100.57 117.02 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.27 150.25 42.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -117.39 112.57 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -104.66 134.73 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -109.37 141.61 41.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 143.56 48.64 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.413 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.07 178.02 2.7 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.235 1.957 . . . . 0.0 112.216 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.83 132.1 34.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.45 24.19 26.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.268 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 48' ' ' PHE . 41.1 p -131.27 157.43 78.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.407 0.146 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.41 5.39 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.315 2.01 . . . . 0.0 112.455 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 46' ' ' THR . 37.0 m-85 -111.6 -10.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.98 -26.59 60.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.474 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.02 -44.48 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.539 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.96 178.24 45.03 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.135 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.4 p -131.67 162.31 30.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 110.733 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -140.65 153.97 46.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.32 127.77 40.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -132.15 164.31 26.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.89 138.61 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.2 mp -111.71 109.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.24 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.36 149.56 44.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.2 m -95.96 133.86 39.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.08 -5.63 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.616 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 97.9 m-85 -145.09 151.3 48.19 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.51 0.77 6.39 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.405 2.07 . . . . 0.0 112.246 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -99.13 -32.7 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HE2' ' HD2' ' A' ' 67' ' ' PRO . 14.2 mmmm -56.63 153.12 22.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.523 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 57.7 Cg_endo -70.26 124.33 10.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.63 2.22 . . . . 0.0 112.423 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.79 169.81 21.02 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.429 2.086 . . . . 0.0 112.203 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.0 m -117.46 112.06 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.14 137.91 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -156.4 147.65 22.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.593 ' HE2' ' CE1' ' A' ' 72' ' ' PHE . 46.7 m-85 -68.63 144.02 54.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.09 -43.0 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.5 t -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.81 161.91 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 59.6 t80 -150.58 112.37 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.703 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.414 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 69.7 m80 -125.18 158.13 64.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 19.6 Cg_endo -58.06 -21.04 48.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.541 2.161 . . . . 0.0 112.284 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -145.98 118.6 8.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.62 152.72 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.632 ' HE2' ' CE1' ' A' ' 82' ' ' TYR . 93.2 m-85 -78.72 158.1 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.37 -19.83 65.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.307 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.73 -1.57 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.86 -8.43 73.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -58.64 150.22 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.794 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.2 mt -84.68 130.93 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.4 t -88.13 100.39 12.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD11 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -126.56 145.4 50.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' H ' HD11 ' A' ' 89' ' ' LEU . 11.5 m-20 -72.28 -21.28 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.469 ' H ' HD13 ' A' ' 89' ' ' LEU . 19.9 tt -69.86 -27.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.27 -14.54 59.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.4 -159.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -66.26 -7.08 16.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -75.36 -14.13 60.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -60.6 146.58 44.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.424 ' HB3' ' HD1' ' A' ' 100' ' ' TYR . 24.0 t -142.84 146.64 38.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.629 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.33 -9.04 13.93 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.409 2.073 . . . . 0.0 112.077 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -77.91 -50.75 11.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.306 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' HD1' ' HB3' ' A' ' 97' ' ' SER . 53.3 m-85 -55.06 141.27 35.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -114.29 -172.09 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.65 -28.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.272 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.7 t -68.66 -33.8 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.9 m -72.96 -51.8 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -31.92 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 106' ' ' LEU . 7.2 tp -69.4 -41.91 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 111.184 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.6 p -73.77 -27.2 61.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.28 -39.99 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -65.82 -34.51 78.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 m -71.13 -29.23 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.644 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.47 -27.62 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.596 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.48 -43.31 49.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.13 -53.75 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.858 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.907 0.294 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.38 -30.63 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -97.18 85.25 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.394 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -30.13 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.581 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.5 -33.25 75.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.69 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.01 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.416 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.33 -44.64 82.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.11 -32.93 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.326 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.606 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 78.3 t80 -60.81 -28.18 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.629 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -99.04 -35.79 9.92 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.04 -81.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -104.48 99.58 9.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.55 -24.54 63.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -62.79 -30.82 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -78.11 -27.72 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.659 ' HE1' ' CE2' ' A' ' 137' ' ' TYR . 50.9 t80 -76.51 -45.48 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.37 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -67.77 -32.12 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -75.99 -52.9 9.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.41 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.31 -35.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -70.65 -33.73 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -56.28 9.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.2 pt -57.2 -36.05 50.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.75 -40.71 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 43.3 mt-10 -67.88 -36.08 79.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.08 -36.75 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.006 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.2 t -104.09 12.98 33.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -81.09 -31.47 1.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.522 2.148 . . . . 0.0 111.957 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.73 -33.83 75.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -64.56 -52.92 55.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -61.06 -31.07 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -62.42 -47.72 82.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.76 -30.23 67.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.8 mtt -70.59 -29.73 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.24 -30.88 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.027 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.13 -33.87 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -76.93 -46.09 25.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -53.47 -40.75 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.588 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.45 -26.24 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.313 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.5 ' HG ' ' HD3' ' A' ' 21' ' ' PRO . 7.7 tt -73.47 -31.37 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.753 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.41 -42.39 79.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.58 -21.13 60.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.138 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -156.57 86.57 2.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.22 147.36 72.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 0.0 112.16 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD3' ' HG ' ' A' ' 16' ' ' LEU . 23.7 Cg_exo -63.95 153.73 74.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.346 2.03 . . . . 0.0 112.024 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.72 124.24 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.51 -31.01 6.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.757 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.67 147.83 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 111.348 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m -137.36 133.28 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.79 124.49 3.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.632 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.2 17.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.369 0.128 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.34 99.86 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.285 1.99 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -108.63 136.58 47.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 62.86 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.16 146.15 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.859 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -59.27 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.066 0.46 . . . . 0.0 111.454 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.76 -19.46 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.56 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mtp -57.87 -66.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -93.06 135.52 34.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.011 0.434 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -113.9 133.23 55.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.92 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -100.63 114.81 28.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.46 150.47 43.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -122.62 122.13 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.27 133.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.47 132.91 51.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 147.78 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.548 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HD3' HD13 ' A' ' 113' ' ' LEU . 55.2 Cg_endo -69.63 -171.73 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.93 162.74 15.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 111.274 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.3 30.75 64.92 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.722 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.9 p -135.81 153.27 77.11 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.441 0.163 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 -2.56 8.89 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.592 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 34.2 m-85 -101.4 -10.03 20.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.17 -29.59 67.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.106 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -85.33 -28.0 25.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.43 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' HA2' ' HE1' ' A' ' 149' ' ' TRP . . . -100.64 174.66 25.96 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.87 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -134.35 149.4 50.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 66.4 m-85 -130.2 123.2 29.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.8 mppt? -98.46 147.58 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.642 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.54 160.16 43.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.26 138.56 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.368 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.09 109.79 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.96 125.48 35.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.66 147.12 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -117.07 123.78 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.669 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.38 88.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -134.93 -79.35 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.625 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 98.9 m-85 -144.76 157.67 54.54 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.21 4.51 2.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.397 2.065 . . . . 0.0 112.425 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -127.13 -3.71 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.62 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.9 tptp -65.29 129.76 94.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.54 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -60.1 113.3 1.6 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.457 2.104 . . . . 0.0 112.389 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.01 179.57 2.23 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.586 2.19 . . . . 0.0 112.403 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -130.04 118.53 21.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.58 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.08 147.41 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.502 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -161.14 147.04 14.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -70.49 151.61 44.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.65 -39.56 15.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -92.66 163.99 13.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HE2' HE22 ' A' ' 147' ' ' GLN . 8.5 ttpt -72.33 117.64 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.3 162.85 18.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.662 ' HE2' ' CE1' ' A' ' 77' ' ' PHE . 81.5 t80 -139.49 109.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.735 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -127.75 158.76 69.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.74 -17.51 36.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.668 2.246 . . . . 0.0 112.777 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -144.97 119.99 10.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.251 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.53 151.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -86.95 171.46 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 3.38 47.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.723 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.71 4.24 89.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.415 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -64.86 169.6 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.351 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -100.19 143.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -90.39 104.87 17.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -135.54 141.86 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' H ' HD11 ' A' ' 89' ' ' LEU . 16.2 m-20 -75.31 -12.08 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.274 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.2 -33.25 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.796 0.332 . . . . 0.0 110.703 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.78 -18.4 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -73.08 -162.54 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -68.15 -4.49 13.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -77.33 -0.68 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -78.41 144.17 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.5 m -133.87 145.89 57.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.57 -6.17 17.85 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 112.776 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 t -79.23 -26.15 42.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.602 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -78.89 174.02 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.11 -176.71 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.91 -23.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -65.83 -32.43 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.1 t -65.97 -51.26 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.78 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.23 -44.24 97.58 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.5 p -74.5 -29.32 61.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.1 m -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.954 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.81 -34.89 70.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -61.22 -33.52 73.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -69.78 -29.31 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.42 -33.65 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD13 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -64.87 -42.84 94.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.98 -52.83 62.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.856 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.802 0.251 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.82 -30.48 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -121.86 102.12 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.5 p -65.18 -28.7 69.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -71.12 -53.39 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.26 71.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.23 -50.03 73.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.026 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.42 -27.22 67.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -70.48 -28.63 65.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -103.88 -11.3 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.326 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -102.39 -83.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.545 ' N ' HD21 ' A' ' 133' ' ' ASN . 0.8 OUTLIER -104.22 100.79 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.69 -29.6 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -63.49 -29.54 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.6 -30.49 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -72.96 -44.71 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.2 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.79 -41.14 97.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -63.36 -37.14 86.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -64.63 -31.87 73.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.406 . . . . 0.0 110.385 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.3 -42.73 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.769 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.4 m -66.47 -30.34 70.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.58 -55.89 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.481 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.61 -32.04 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.865 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.53 -39.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -67.43 -38.95 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.46 HE22 ' HE2' ' A' ' 75' ' ' LYS . 25.6 mt-30 -66.8 -25.28 66.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.5 m -94.06 1.52 56.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . 0.432 ' HE1' ' HA2' ' A' ' 51' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.562 0.22 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.69 -32.03 92.69 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.09 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.61 -31.72 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -77.46 -34.28 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.115 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.43 -34.07 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -69.72 -49.23 55.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -65.23 -28.38 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.86 -52.82 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.617 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 28.9 t80 -65.04 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.707 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.04 -45.05 91.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -79.03 -25.9 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.21 -36.12 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.82 -36.43 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.197 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.26 -36.9 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -164.2 85.18 1.21 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.87 153.83 58.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.33 2.02 . . . . 0.0 112.202 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.48 147.05 80.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.148 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.98 140.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 -2.89 79.29 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.881 -0.675 . . . . 0.0 112.385 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -160.6 141.88 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 110.817 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -129.14 147.68 51.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.167 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.69 93.6 0.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.325 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.72 154.5 51.98 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.558 0.218 . . . . 0.0 111.259 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 124.3 8.14 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.177 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -88.24 -81.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.0 -30.55 5.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.758 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -57.42 146.26 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -51.34 164.97 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -53.22 -28.88 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.499 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.0 ptp -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -115.85 124.94 51.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.415 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -113.81 157.46 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.9 111.5 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.73 149.34 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.47 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.04 125.05 54.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.678 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.43 135.69 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.637 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 45.4 m-85 -111.3 128.36 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.554 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.72 145.87 23.23 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.751 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.54 165.44 32.48 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.359 2.039 . . . . 0.0 112.028 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.24 117.74 14.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 28.6 3.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -140.54 158.51 65.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.392 0.139 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.27 -4.67 12.17 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.42 2.08 . . . . 0.0 112.147 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -105.3 -6.49 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.9 -33.47 64.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.15 -38.83 18.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.12 172.03 53.88 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.996 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -132.11 148.88 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.703 0.287 . . . . 0.0 110.79 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.598 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 78.1 m-85 -136.13 148.53 48.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.895 0.379 . . . . 0.0 111.252 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -126.71 142.46 51.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.0 164.29 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.27 141.67 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.0 mp -124.84 109.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.94 127.08 52.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.67 ' HE1' ' CE2' ' A' ' 59' ' ' PHE . 67.5 m-85 -104.02 148.31 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.3 t -97.27 152.31 19.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.7 -3.44 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 89.2 m-85 -147.83 146.0 22.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.44 -12.79 29.37 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.417 2.078 . . . . 0.0 112.272 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.459 ' HA ' ' HE1' ' A' ' 96' ' ' TRP . 6.4 t30 -89.44 -22.68 22.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 14.7 mmmm -58.64 152.49 46.21 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.937 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.98 121.08 8.08 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.367 2.045 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.72 -174.57 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.367 2.045 . . . . 0.0 112.577 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.9 m -131.54 112.74 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.263 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 109' ' ' ILE . 99.8 t -128.44 137.94 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 111.439 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -167.19 128.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.575 ' HD1' ' CD2' ' A' ' 72' ' ' PHE . 9.6 m-85 -60.11 126.41 27.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.28 -38.28 83.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.9 m -92.28 177.92 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -81.97 151.99 26.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.652 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -158.9 164.01 36.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.109 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 86.7 t80 -136.06 108.0 7.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.478 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -123.97 158.66 59.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.3 -18.03 35.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.581 2.187 . . . . 0.0 112.816 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -151.62 119.11 6.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.5 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -154.45 144.1 13.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.642 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.652 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 56.1 m-85 -78.13 166.04 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.294 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.77 81.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.355 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.63 -2.58 36.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.31 -6.01 78.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 149.58 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.499 HD13 ' H ' ' A' ' 87' ' ' ILE . 3.9 mp -91.81 144.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.29 112.95 23.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -120.1 160.72 22.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.02 -16.56 22.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.123 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.39 -34.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.17 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.88 -10.21 8.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -77.29 -164.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.793 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -63.11 -12.76 29.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -75.11 -3.34 32.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE1' ' HA ' ' A' ' 65' ' ' ASN . 46.4 t-105 -70.74 147.08 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.3 m -144.01 144.12 25.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.512 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -7.69 12.46 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.454 2.103 . . . . 0.0 112.377 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.9 m -76.48 -43.57 39.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.618 ' HE1' ' CE2' ' A' ' 100' ' ' TYR . 91.1 m-85 -55.74 135.5 51.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.071 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.98 -174.21 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.89 -22.17 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.056 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.748 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.9 t -60.65 -52.08 66.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 109' ' ' ILE . 2.9 tp -60.88 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.662 0.268 . . . . 0.0 111.506 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.45 -43.97 95.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.741 0.305 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.1 p -74.46 -27.82 60.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.57 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.0 m -68.55 -48.28 64.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.457 HD12 HG12 ' A' ' 70' ' ' VAL . 77.1 mt -62.94 -39.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.759 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.61 -31.45 72.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.2 m -71.54 -29.34 64.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.809 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.9 -32.19 65.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.0 -43.28 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.244 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.377 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.719 0.216 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.78 -25.38 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -115.74 99.42 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.684 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m -64.39 -35.64 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -66.8 -49.16 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.4 -49.36 67.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.37 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.596 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -56.7 -42.96 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.443 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -27.21 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.5 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -69.42 -32.91 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.566 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.63 -7.8 30.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.462 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.46 -80.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -109.44 105.94 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.321 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -73.3 -29.56 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -65.49 -30.13 70.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.27 -35.58 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.47 -39.85 77.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.009 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.17 -34.92 71.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.93 -31.06 61.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -75.68 -43.85 45.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.38 -35.11 71.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.042 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -30.34 66.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.745 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.71 -51.45 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 77' ' ' PHE . 43.6 pt -59.77 -31.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.05 -39.38 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.02 -40.62 96.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.13 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -103.87 13.98 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.814 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.604 0.24 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.13 -26.82 57.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.542 2.162 . . . . 0.0 112.142 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.2 -43.62 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' NE ' HG22 ' A' ' 33' ' ' ILE . 79.0 ttt180 -72.3 -27.61 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.576 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.52 -41.87 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -65.56 -38.35 89.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 6' ' ' ARG . 68.1 mt -55.1 -31.31 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.9 mtp -66.63 -52.91 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -58.49 -29.86 66.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -73.23 -32.53 64.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.214 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.599 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 15.0 t80 -65.05 -56.79 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.252 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -58.99 -33.09 70.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.008 0.433 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -63.08 -36.04 82.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -75.31 -33.39 61.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.002 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.13 -16.24 59.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -83.96 -42.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -151.13 85.32 5.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.35 145.34 88.13 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.501 2.134 . . . . 0.0 112.234 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.46 141.82 97.48 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.668 2.245 . . . . 0.0 112.404 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.3 t -82.81 119.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.804 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.48 -24.34 31.25 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.409 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 m -142.22 146.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 m -135.14 135.02 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.57 103.54 0.34 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.03 151.27 29.36 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 132.36 22.94 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.429 2.086 . . . . 0.0 112.266 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.7 p -94.56 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -133.24 -35.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -57.63 146.56 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.008 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -48.68 161.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.217 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 HG22 ' NE ' ' A' ' 6' ' ' ARG . 20.3 tt -53.3 -24.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 0.0 110.954 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.461 HE21 HG22 ' A' ' 56' ' ' VAL . 39.5 tt0 -114.47 132.04 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -115.59 179.74 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -135.93 109.46 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.11 149.2 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 111.606 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.61 128.13 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.558 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -112.18 127.24 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.421 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 29.7 m-85 -95.91 133.93 39.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.17 138.86 44.81 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.605 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.93 169.77 15.63 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.447 2.098 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.01 140.15 36.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.68 18.25 56.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.599 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -131.49 154.41 81.87 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.19 -5.63 14.2 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.456 2.104 . . . . 0.0 112.206 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.93 -5.06 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.52 -32.75 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.376 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.53 -45.07 12.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.49 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.71 119.79 5.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.696 . . . . 0.0 113.085 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -85.98 157.29 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.587 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 64.4 m-85 -127.02 143.95 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -111.99 143.62 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.92 157.03 42.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 HE21 ' A' ' 35' ' ' GLN . 5.8 p -117.05 140.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.497 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.3 mp -108.96 109.79 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -87.84 134.33 33.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.9 162.34 17.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.6 p -132.43 154.58 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.81 14.75 6.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.18 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.63 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 93.0 m-85 -142.91 152.94 60.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -17.29 59.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.562 2.175 . . . . 0.0 112.27 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.67 -18.31 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.536 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.1 tptp -55.08 123.21 46.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.536 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 10.6 Cg_endo -54.53 117.17 3.66 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.466 2.111 . . . . 0.0 112.161 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.53 -174.23 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.513 2.142 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -129.58 136.13 49.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG21 HG13 ' A' ' 57' ' ' ILE . 13.9 p -142.82 143.0 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.345 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -159.52 155.59 26.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.226 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -80.46 139.51 36.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.984 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.9 -26.05 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.141 0.496 . . . . 0.0 110.151 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -98.94 -169.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.734 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -92.85 133.93 35.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.625 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.55 153.66 41.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.617 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 67.2 t80 -131.8 113.03 13.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 78.3 m80 -129.54 158.6 72.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 26.9 Cg_endo -62.3 -9.02 13.81 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.576 2.184 . . . . 0.0 112.619 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.469 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 22.4 p-10 -151.66 119.29 6.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 111.41 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.15 152.09 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.757 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.623 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 77.3 m-85 -91.39 169.37 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.68 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.99 -10.99 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.94 62.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.9 m -74.21 169.34 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 87' ' ' ILE . 3.2 mp -106.27 146.26 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.9 t -88.5 103.24 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.32 121.66 45.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -64.59 -22.83 67.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.6 tt -73.26 -37.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -12.95 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.202 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -71.45 -161.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -2.17 4.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.27 -4.39 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -66.72 146.22 54.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -139.66 148.21 54.94 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.721 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.52 -2.08 11.24 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.389 2.06 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.4 p -78.01 -31.67 50.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -73.4 -175.87 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.63 -178.51 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.61 -22.35 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.826 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -68.32 -32.11 72.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.5 m -67.76 -51.36 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.496 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -59.48 -32.9 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.968 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -44.92 78.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.7 p -70.31 -27.38 64.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.4 t -61.74 -44.08 97.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.956 0.408 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.6 mt -71.02 -34.99 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.19 -44.15 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -65.48 -29.23 69.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.72 -26.25 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.51 -42.75 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 -179.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.813 0.255 . . . . 0.0 112.205 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.88 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.469 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 36.7 t-20 -90.87 102.73 15.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.2 p -70.82 -28.02 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.482 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.48 -47.64 63.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.87 86.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.38 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.74 74.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.035 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.401 ' HA ' HE21 ' A' ' 131' ' ' GLN . 35.3 tt0 -68.22 -33.49 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.93 -27.64 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -65.75 -33.71 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.36 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.401 HE21 ' HA ' ' A' ' 128' ' ' GLN . 27.2 pt20 -94.78 -23.93 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.505 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -90.16 -84.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.178 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.52 ' N ' HD21 ' A' ' 133' ' ' ASN . 0.9 OUTLIER -105.81 96.36 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -72.02 -21.39 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -70.71 -30.88 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.16 -27.38 53.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -75.88 -50.75 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.309 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.76 -40.94 80.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.23 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.74 -31.23 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -67.94 -36.16 79.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.86 -42.09 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 t -67.69 -30.3 69.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.53 -57.18 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.45 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.4 pt -57.58 -33.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.63 -37.43 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.972 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -37.38 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -64.4 -32.13 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.6 t -105.34 10.68 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.4 t90 . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.632 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.568 0.223 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.04 -36.05 84.15 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.444 2.096 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.4 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -67.82 -39.36 83.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.88 -32.13 73.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -62.84 -47.58 82.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.15 -31.03 51.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.63 -44.97 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -74.9 -28.21 60.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.23 -46.78 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.69 -42.84 85.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -55.04 -34.24 63.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.289 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.38 -25.82 42.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.02 -47.0 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.52 -27.34 62.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.65 -44.6 73.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.775 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -160.0 87.43 1.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 157.72 59.25 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.415 2.077 . . . . 0.0 112.04 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HB2' HG11 ' A' ' 24' ' ' VAL . 36.6 Cg_exo -60.5 152.57 67.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.384 2.056 . . . . 0.0 111.942 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.11 138.63 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.68 -2.78 66.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.641 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 21' ' ' PRO . 7.4 p -161.56 142.84 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.0 t -137.41 148.38 46.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.17 99.51 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.581 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.78 156.09 38.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 122.886 -0.184 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.2 122.29 8.25 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.292 1.995 . . . . 0.0 112.314 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 t -70.9 -77.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.35 -29.89 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -62.65 147.22 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.8 OUTLIER -48.84 168.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.285 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -55.62 -16.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.622 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.55 -60.37 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.037 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.59 HE22 ' HB2' ' A' ' 58' ' ' GLU . 6.4 tp60 -99.07 137.09 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.52 164.94 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -127.32 107.97 10.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.652 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.87 148.22 41.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.448 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -126.7 113.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.524 HD13 HD13 ' A' ' 55' ' ' LEU . 57.4 mt -104.85 133.88 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.651 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 34.5 m-85 -105.91 134.65 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.73 144.5 34.28 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.576 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.24 -174.69 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -87.14 161.18 18.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.73 28.04 69.34 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.597 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.4 p -134.54 156.02 79.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.445 0.164 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 1.99 3.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.339 2.026 . . . . 0.0 112.013 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.6 ' HD2' ' CD1' ' A' ' 48' ' ' PHE . 19.0 m-85 -108.82 -5.43 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.655 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.88 -34.32 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.77 -46.33 11.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 163.87 54.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.687 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -131.6 140.65 49.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.91 163.89 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 10.4 mtmp? -140.61 143.0 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.744 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -138.48 162.84 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.14 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.95 145.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.5 mp -125.79 111.22 26.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' HB2' HE22 ' A' ' 35' ' ' GLN . 42.8 tt0 -98.61 136.61 38.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.752 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.642 ' HD1' ' CD2' ' A' ' 59' ' ' PHE . 75.4 m-85 -112.74 142.29 45.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -104.88 152.14 22.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.757 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.38 6.05 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.71 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.619 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 98.4 m-85 -144.83 148.83 40.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.74 -25.21 78.47 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.427 2.085 . . . . 0.0 112.035 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.52 -18.76 23.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.4 tmtt? -52.08 132.14 40.64 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.417 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 10.3 Cg_endo -51.76 110.99 0.49 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.384 2.056 . . . . 0.0 111.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.39 -169.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.452 2.102 . . . . 0.0 112.639 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -131.23 118.49 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.29 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 109' ' ' ILE . 92.3 t -134.76 138.31 49.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -165.56 145.01 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 72' ' ' PHE . 28.2 m-85 -71.84 132.25 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.32 -38.76 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -88.66 169.65 11.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.651 ' HB2' ' HZ2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -70.65 125.71 27.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 163.7 29.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.65 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 65.1 t80 -143.17 110.6 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -127.66 155.89 76.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.02 -25.84 72.38 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.317 2.011 . . . . 0.0 112.161 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.4 m120 -128.9 118.04 22.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.805 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -152.69 135.27 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.67 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 92.3 m-85 -85.94 174.48 9.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.059 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.53 1.64 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.68 4.64 81.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.94 164.48 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.683 0.278 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.6 mp -98.85 137.61 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.43 105.06 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 140.39 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.51 -20.93 66.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.683 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.4 tt -67.34 -26.6 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.2 -9.11 54.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.195 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -76.45 -164.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.8 -7.98 32.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -72.81 -10.76 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.08 140.82 58.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 75.2 m -135.75 142.28 40.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.668 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 19.2 Cg_exo -66.13 -2.36 6.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.539 2.159 . . . . 0.0 112.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 65.2 m -76.92 -41.02 45.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.63 ' HD1' ' CD2' ' A' ' 100' ' ' TYR . 98.7 m-85 -61.37 172.36 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.1 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -133.07 -171.46 2.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.46 -22.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 m -69.22 -32.09 71.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -62.11 -52.4 64.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.934 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.7 tp -59.17 -37.17 66.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.76 0.314 . . . . 0.0 111.359 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 24' ' ' VAL . 72.8 mt -61.29 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.122 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.9 p -59.97 -27.9 67.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.495 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -48.18 74.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.533 HD13 HG12 ' A' ' 70' ' ' VAL . 57.5 mt -69.85 -39.24 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.221 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.73 -44.26 90.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -72.48 -29.71 63.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -60.21 -35.24 74.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.76 -36.9 70.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.32 -55.22 37.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.057 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.802 0.251 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -81.5 -43.44 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -105.37 110.85 23.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.457 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.1 m -70.79 -27.37 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.608 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.406 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 52.3 tt0 -69.42 -53.46 19.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.424 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.31 42.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.581 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.04 56.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.594 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.82 -36.21 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 0.0 111.349 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 125' ' ' GLN . 90.7 mt -63.8 -27.26 69.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.24 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -67.82 -32.33 72.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.642 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -98.4 -24.7 15.08 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.72 -80.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.25 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -106.35 92.58 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.32 -36.64 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -34.45 77.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -70.15 -27.53 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -75.99 -42.18 48.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.14 -45.66 84.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.158 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -58.28 -37.89 75.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.7 -44.47 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.4 m -62.47 -30.34 71.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.72 -56.97 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.577 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.6 pt -59.18 -35.33 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.469 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 55.1 t -70.42 -40.51 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -62.86 -42.16 99.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.295 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.48 -36.75 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.2 p -100.39 13.5 34.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.279 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 4.7 t90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.751 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 61' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.04 -34.77 0.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.44 2.094 . . . . 0.0 112.095 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.05 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -64.36 -52.88 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.151 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -58.31 -34.9 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.547 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -57.46 -48.23 79.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.314 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.48 -39.16 72.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.12 -31.47 72.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.457 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -75.01 -28.39 60.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -73.87 -37.04 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 23.9 t80 -70.59 -51.94 24.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -59.5 -31.63 69.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.673 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -79.76 -25.94 40.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.06 -46.83 88.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 14' ' ' LYS . 26.1 pt20 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.44 -40.74 66.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 110.539 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -158.94 82.08 2.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.464 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.61 150.36 74.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.509 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.88 141.69 59.79 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.385 2.057 . . . . 0.0 112.113 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -89.19 123.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.309 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.29 -5.13 55.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -159.17 148.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -137.3 145.59 43.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.973 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.16 112.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.346 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . . . -145.26 156.64 54.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.445 0.164 . . . . 0.0 111.172 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 53.4 Cg_endo -68.94 130.1 19.72 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.486 2.124 . . . . 0.0 112.174 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -59.6 -72.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -172.24 -30.06 0.01 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -84.1 110.13 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.2 m120 56.6 -177.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.654 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -113.21 -1.92 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -77.04 -50.1 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -83.73 121.5 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -122.31 135.87 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -100.09 122.68 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.12 150.32 51.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.45 122.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.23 130.33 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 37.9 m-85 -103.56 149.44 24.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.622 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.72 142.8 37.01 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.784 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.01 4.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 66.49 113.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.81 -3.73 17.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.048 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -110.97 161.34 25.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HB2' HG12 ' A' ' 141' ' ' VAL . 18.2 Cg_exo -66.62 2.55 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.371 2.047 . . . . 0.0 112.247 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -109.93 -6.92 15.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.27 -26.03 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.59 1.87 40.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.299 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.66 145.1 16.36 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.667 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.0 p -100.95 157.49 16.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.676 0.274 . . . . 0.0 110.924 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.657 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 55.2 m-85 -132.22 125.45 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -105.33 115.45 30.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -120.56 164.31 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.062 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 p -124.44 139.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.2 mp -107.56 109.72 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.562 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.78 155.97 16.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 59' ' ' PHE . 94.8 m-85 -136.11 162.63 32.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.698 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -136.94 128.6 28.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HG3' HG22 ' A' ' 3' ' ' THR . 42.2 tt0 -64.43 90.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -133.15 -76.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -143.69 154.66 59.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.47 -3.82 10.81 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.181 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -122.14 -4.78 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 48.4 tptt -60.43 130.43 89.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 36.2 Cg_endo -64.89 121.75 9.35 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.352 2.035 . . . . 0.0 112.188 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.27 -172.69 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.27 1.98 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -130.76 135.01 47.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.0 p -139.93 146.91 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -159.02 160.91 36.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -84.75 126.74 33.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.66 -34.74 74.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.514 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -92.31 140.42 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.07 113.9 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 mmt -127.5 163.26 24.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.53 118.79 34.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.426 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 39.2 m80 -127.03 157.48 71.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -59.31 -19.54 51.1 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.416 2.077 . . . . 0.0 112.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.57 119.44 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -148.16 129.18 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -72.43 172.21 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -94.4 8.5 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.33 10.36 84.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -68.21 169.47 10.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.5 mp -98.86 134.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.15 102.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.37 139.6 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.7 -23.81 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 18.9 tt -65.63 -28.46 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.6 tp -72.91 -17.42 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -79.73 -159.24 0.2 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -65.61 -6.18 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 95' ' ' ARG . 6.3 tpm_? -72.74 -12.76 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 64.1 t-105 -67.56 144.94 55.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 m -134.83 147.69 63.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.54 -5.22 14.69 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.701 2.267 . . . . 0.0 112.504 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 74.9 p -79.07 -44.12 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.424 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -59.37 167.57 1.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -136.27 -171.62 2.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.33 -24.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.624 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.7 m -70.26 -32.51 70.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.747 0.308 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.9 t -73.29 -47.0 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.605 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.251 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.78 -47.92 70.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.8 p -66.4 -27.97 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.2 m -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.2 -38.93 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.95 -31.86 73.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.41 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -68.01 -28.84 67.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.73 -25.15 59.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.47 -42.61 29.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.02 -44.17 96.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.981 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.992 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo . . . . . 0 N--CA 1.462 -0.366 0 CA-C-O 120.788 0.245 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.64 -25.62 21.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -120.96 109.44 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.7 p -68.54 -33.3 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -70.2 -47.82 59.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.001 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.84 53.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.59 73.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -68.47 -30.05 68.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.96 -11.13 17.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.506 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -98.19 -78.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.936 0.398 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.78 103.55 12.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.46 -21.66 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.697 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -70.85 -38.49 73.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.25 -27.81 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.605 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 85.2 t80 -74.58 -50.03 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.15 -37.93 75.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 111.245 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.96 -30.32 71.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -76.01 -31.12 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 47' ' ' PRO . 66.6 t -59.09 -52.98 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.8 m -71.36 -30.21 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.63 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.797 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 46.4 pt -73.99 -35.92 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.0 -33.64 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.561 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 35.2 mt-10 -66.54 -30.67 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.326 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -64.07 -40.59 96.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.1 p -94.4 0.19 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . 0.47 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -79.86 -33.79 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.392 2.061 . . . . 0.0 111.914 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.508 ' HA ' ' HG3' ' A' ' 64' ' ' PRO . . . -59.78 -34.2 72.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.21 -42.83 75.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.96 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.438 HH11 HH11 ' A' ' 11' ' ' ARG . 30.8 mmm180 -71.62 -42.27 67.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD11 HG12 ' A' ' 33' ' ' ILE . 90.2 mt -53.15 -43.61 67.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.81 -31.55 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.438 HH11 HH11 ' A' ' 8' ' ' ARG . 99.1 mtt180 -75.28 -31.85 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -74.38 -30.88 62.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.54 -51.48 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.7 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -79.66 -25.4 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.87 -43.01 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.441 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.5 -33.8 75.6 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.0 -42.04 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.16 83.56 3.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 156.43 62.72 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.61 150.6 79.83 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.405 2.07 . . . . 0.0 112.285 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.18 136.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.12 -19.66 50.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.816 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 40' ' ' ILE . 19.4 m -145.63 157.11 12.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.435 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 t -135.91 146.94 47.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.724 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.73 87.75 0.12 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.68 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.05 153.69 67.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.547 0.213 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.91 110.32 2.35 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.389 2.06 . . . . 0.0 112.335 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 p -77.78 -62.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -136.68 -29.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 13.7 m120 -64.29 146.35 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.699 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -53.59 175.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 111.681 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 9' ' ' LEU . 20.6 tt -56.68 -18.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.523 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.5 mtt -71.18 -50.39 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 8.1 tt0 -104.24 127.57 51.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -114.74 153.64 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.12 116.9 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.382 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.12 148.91 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.012 0.434 . . . . 0.0 111.628 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.446 HG21 ' HG2' ' A' ' 54' ' ' LYS . 9.2 p -137.95 146.93 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.9 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 ' HA ' HG13 ' A' ' 24' ' ' VAL . 81.0 mt -129.2 120.46 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.627 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 44.7 m-85 -90.48 149.44 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.727 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.96 139.88 37.11 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.611 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.506 ' HD3' HD13 ' A' ' 113' ' ' LEU . 55.7 Cg_endo -70.6 178.83 4.67 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.429 2.086 . . . . 0.0 112.096 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.29 128.48 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.67 9.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.6 p -138.31 156.6 73.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.349 0.119 . . . . 0.0 111.135 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.9 2.32 3.16 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.267 1.978 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.63 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 8.4 m-85 -111.15 -3.28 15.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.712 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -57.56 -30.4 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.579 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.48 -37.83 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.32 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.27 -173.87 41.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.621 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 t -148.32 151.65 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -130.11 122.23 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG2' HG21 ' A' ' 39' ' ' VAL . 94.2 mttt -94.34 155.49 16.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.291 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 163.7 39.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.05 153.0 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.654 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mp -126.81 123.26 62.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.3 125.04 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -103.61 151.07 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -101.63 161.61 13.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.75 6.05 36.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.01 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.615 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 96.5 m-85 -148.39 152.75 39.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.508 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 16.4 Cg_exo -67.26 -11.81 33.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.616 2.21 . . . . 0.0 112.112 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.62 -25.55 16.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.274 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 43.3 mmtm -55.87 151.99 21.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.44 125.91 17.95 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.412 2.075 . . . . 0.0 112.219 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.22 -172.84 1.1 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.295 1.997 . . . . 0.0 112.354 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.3 m -131.51 113.76 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 109' ' ' ILE . 98.1 t -130.3 136.89 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.839 0.352 . . . . 0.0 111.406 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -166.46 144.34 5.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.28 146.79 48.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.0 mt -87.94 -37.44 16.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.471 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.2 m -90.4 143.91 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.716 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -56.37 125.73 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.53 164.18 30.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 54.7 t80 -137.98 115.4 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -129.49 156.13 79.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.64 -18.31 39.74 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.277 1.985 . . . . 0.0 111.974 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.447 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.1 m120 -134.9 118.3 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -153.27 121.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.631 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 52.5 m-85 -66.18 176.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.959 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.45 74.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.58 7.69 32.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.58 4.18 87.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.588 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.3 m -63.26 158.3 20.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.445 HD11 HG13 ' A' ' 70' ' ' VAL . 4.4 mp -90.9 137.15 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 65.0 m -80.94 104.7 11.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.502 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -134.12 143.49 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' H ' HD11 ' A' ' 89' ' ' LEU . 20.8 t70 -68.61 -22.09 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 89' ' ' LEU . 17.3 tt -69.61 -13.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.084 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.84 -25.62 61.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.419 ' HB3' ' H ' ' A' ' 94' ' ' ASN . 1.7 mp0 -73.25 -164.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 93' ' ' GLN . 79.4 m-20 -67.19 -0.24 3.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -72.24 -8.51 55.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.994 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.15 147.28 48.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.4 m -136.58 151.94 73.74 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.14 1.78 7.42 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.434 2.09 . . . . 0.0 112.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 m -86.82 -48.4 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.649 ' HE1' ' CE2' ' A' ' 100' ' ' TYR . 86.7 m-85 -56.6 151.13 14.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.41 -175.67 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.78 -26.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.8 m -63.36 -32.32 73.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.5 t -61.19 -30.13 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -27.41 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.71 -42.66 70.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.0 p -73.85 -29.89 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.773 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.2 p -62.76 -41.21 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.212 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.515 HD12 HG12 ' A' ' 70' ' ' VAL . 70.9 mt -73.24 -38.59 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.423 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.93 -32.2 71.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m -67.45 -29.18 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.67 -26.13 65.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.506 HD13 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -76.57 -42.16 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.005 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.769 -179.781 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.907 0.295 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.447 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -112.35 -25.85 9.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.904 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -129.58 105.76 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.413 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -64.77 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.256 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.42 -52.47 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.535 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.91 41.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.613 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.67 73.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.382 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.51 -38.54 89.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.147 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.39 -26.71 68.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.289 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -64.31 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.468 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -99.73 -45.56 5.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.648 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.77 -77.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.748 0.308 . . . . 0.0 111.274 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.11 88.31 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.29 -26.78 66.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.694 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.02 -29.68 69.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.81 -31.92 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 137' ' ' TYR . 75.5 t80 -73.71 -47.41 39.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.369 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.29 -40.74 87.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.386 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -64.06 -34.14 77.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -68.21 -34.22 75.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.5 -48.04 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.3 p -66.17 -30.3 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.6 -57.96 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.484 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -58.46 -31.43 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.677 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.7 t -76.03 -41.85 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.244 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.49 -34.34 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.02 -39.76 91.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -97.94 9.61 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.718 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.611 0.243 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.67 -31.72 69.38 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.733 2.289 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.47 68.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -65.16 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.011 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -71.69 -31.52 66.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -77.55 -41.26 39.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.5 -36.02 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.337 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.24 -51.72 19.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -56.68 -28.69 61.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.336 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.58 -34.52 72.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 t80 -65.33 -52.91 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.839 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.86 72.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.03 0.443 . . . . 0.0 110.266 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -75.14 -28.38 60.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.175 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.27 -47.13 29.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.441 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -57.99 -23.81 55.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 111.419 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.29 -48.64 49.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.504 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -141.64 79.97 16.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.4 Cg_endo -65.74 148.03 86.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.549 2.166 . . . . 0.0 112.264 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.8 Cg_exo -64.49 156.06 62.73 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.525 2.15 . . . . 0.0 112.191 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.86 138.07 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 -22.61 13.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.317 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 40' ' ' ILE . 27.1 m -140.36 160.04 25.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -151.26 148.1 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.06 125.2 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.16 146.35 19.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.375 0.131 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.5 106.46 1.96 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.482 2.121 . . . . 0.0 112.471 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -77.54 -156.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.404 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.65 -19.59 4.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.3 146.48 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.013 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -52.58 168.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.455 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.12 -26.0 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.004 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.1 mtm -73.68 -0.27 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.565 0.221 . . . . 0.0 111.377 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -140.51 117.47 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -117.62 135.12 54.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -100.61 126.83 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.35 147.31 52.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.125 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.0 t -118.63 120.55 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' HA ' HG13 ' A' ' 24' ' ' VAL . 59.7 mt -111.44 130.93 64.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -104.33 133.82 48.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' HA2' HD13 ' A' ' 113' ' ' LEU . . . -58.79 145.74 42.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.51 -174.86 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.29 1.993 . . . . 0.0 112.229 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.92 138.65 31.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.2 63.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.656 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 p -116.68 157.05 47.02 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.33 0.109 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.74 -0.15 5.69 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.474 2.116 . . . . 0.0 112.17 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -111.05 -2.35 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.017 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.53 -31.05 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.34 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.07 -32.8 22.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -94.14 176.33 35.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.638 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.6 p -137.35 143.59 42.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -123.72 144.3 49.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -119.86 139.81 51.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.45 164.62 28.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 111.418 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -126.53 134.38 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.55 111.11 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.31 132.75 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -112.28 148.17 34.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -113.65 126.35 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.597 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.57 94.42 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -144.3 -83.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.662 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 88.7 m-85 -146.19 153.03 48.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.4 -17.29 52.54 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.49 2.126 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.45 -14.16 19.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.487 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 24.7 tptp -58.13 132.04 84.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.487 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 12.2 Cg_endo -56.65 135.55 71.11 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.353 2.035 . . . . 0.0 111.99 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -85.41 175.11 6.49 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.556 2.171 . . . . 0.0 112.641 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.5 m -128.75 130.19 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.504 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.99 146.95 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.905 0.383 . . . . 0.0 111.358 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -166.86 142.02 4.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.59 ' HD1' ' CD2' ' A' ' 72' ' ' PHE . 32.7 m-85 -65.49 147.68 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -85.79 -30.71 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.454 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 m -101.55 165.76 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.754 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HB3' ' HZ3' ' A' ' 75' ' ' LYS . 2.4 mmmp? -67.95 133.58 49.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -142.02 156.95 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.665 ' HE2' ' CE1' ' A' ' 77' ' ' PHE . 84.5 t80 -134.0 120.74 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -134.41 158.78 74.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.73 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.61 -19.21 36.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.402 2.068 . . . . 0.0 112.503 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.445 ' HB3' ' H ' ' A' ' 122' ' ' ALA . 4.8 p30 -144.87 118.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.34 157.0 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -98.51 174.33 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -24.98 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.03 4.93 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 12.44 75.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.619 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -71.89 165.24 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.638 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.456 HG21 HD21 ' A' ' 112' ' ' LEU . 4.9 mp -97.22 134.57 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 49.5 t -85.32 94.46 8.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 108' ' ' SER . 0.1 OUTLIER -125.85 137.81 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 11.5 m-20 -60.97 -29.91 69.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 89' ' ' LEU . 16.6 tt -66.24 -26.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.5 tp -68.3 -25.36 65.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.19 -163.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.33 -7.16 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.322 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HD3' ' HB3' ' A' ' 90' ' ' ASP . 76.8 mtp180 -73.58 0.83 11.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -75.82 147.75 38.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.1 m -141.81 148.23 48.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.77 -1.43 10.38 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.376 2.051 . . . . 0.0 112.612 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.9 t -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.248 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -98.4 -179.91 4.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -140.21 -173.89 3.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.95 -21.94 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.2 m -69.98 -31.87 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.0 m -61.1 -52.02 66.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.816 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.57 -36.98 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.92 -47.83 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.4 p -74.67 -27.55 60.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.42 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.22 -38.5 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.429 ' NE2' HG11 ' A' ' 24' ' ' VAL . 36.5 tt0 -59.0 -31.95 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.772 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.2 t -69.97 -29.43 66.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.456 HD21 HG21 ' A' ' 87' ' ' ILE . 26.3 tp -57.75 -31.86 66.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.423 HD13 ' HA2' ' A' ' 42' ' ' GLY . 1.9 mt -77.2 -44.81 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.12 -35.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.786 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.768 0.237 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.445 ' H ' ' HB3' ' A' ' 80' ' ' ASN . . . -111.5 -31.11 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -114.43 99.85 7.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.538 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 t -66.71 -27.81 67.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.333 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.73 21.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.48 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.241 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.482 HE21 ' HG2' ' A' ' 132' ' ' GLU . 23.1 tp60 -67.11 -48.35 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.52 -27.75 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.641 ' HE2' ' CE1' ' A' ' 130' ' ' TYR . 69.3 t80 -62.69 -44.0 97.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -91.5 -16.6 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.482 ' HG2' HE21 ' A' ' 128' ' ' GLN . 15.3 mm-40 -92.71 -75.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.096 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.69 88.08 2.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.856 0.36 . . . . 0.0 110.5 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -64.93 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -81.65 -30.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -72.84 -46.21 54.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.92 -33.07 74.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -69.77 -35.95 75.34 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -70.87 -51.12 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.16 -35.88 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 84.0 p -71.02 -30.52 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.79 18.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 pt -59.45 -31.94 47.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.462 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.4 HG11 ' HA3' ' A' ' 51' ' ' GLY . 53.5 t -75.34 -41.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.97 -46.21 88.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.53 -25.74 68.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.0 m -104.66 8.5 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.458 0.171 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.07 -33.48 73.36 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.543 2.162 . . . . 0.0 112.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.49 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.26 -35.02 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.64 -34.32 77.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.452 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 28.1 mmt180 -77.0 -34.06 57.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.069 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB3' HD12 ' A' ' 33' ' ' ILE . 66.9 mt -62.97 -29.67 70.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.62 -31.62 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.986 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.7 -40.76 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.621 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 26.3 t80 -69.39 -49.21 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -52.85 -39.05 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.616 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -79.8 -25.49 40.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.02 -44.28 66.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.434 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.18 -24.72 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.456 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.01 -41.91 27.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -143.09 80.01 13.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.597 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.99 150.8 78.1 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.532 2.154 . . . . 0.0 112.264 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 153.26 74.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.384 2.056 . . . . 0.0 111.994 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -90.57 141.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 -11.2 60.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 HD21 ' A' ' 106' ' ' LEU . 15.0 p -155.62 151.25 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.694 0.283 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -139.73 133.68 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.53 128.71 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.326 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 150.62 20.01 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 108.6 2.71 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.401 2.067 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -129.29 143.65 50.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 62.87 -81.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.37 145.66 42.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.38 -173.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.349 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HD13 ' HE1' ' A' ' 36' ' ' TRP . 10.3 tp -56.92 -21.36 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.191 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -58.23 -54.63 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.32 144.97 33.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.103 0.478 . . . . 0.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' HE1' HD13 ' A' ' 33' ' ' ILE . 6.8 m0 -123.19 146.33 47.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.52 128.22 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.66 150.17 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.6 120.3 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -103.53 120.89 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.669 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 33.5 m-85 -94.62 152.21 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.66 24.85 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.755 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.4 5.41 5.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.742 2.294 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 66.73 104.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.06 11.42 3.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.956 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 80.9 p -132.65 159.62 71.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 C-N-CA 122.016 0.126 . . . . 0.0 110.796 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 34.8 Cg_endo -65.43 -3.13 7.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.182 1.921 . . . . 0.0 112.396 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 48' ' ' PHE . 46.9 m-85 -97.57 -12.86 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.749 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.34 -27.54 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.19 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.34 0.29 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.52 177.15 23.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.632 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.8 p -126.68 152.0 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.012 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -130.91 135.07 47.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -111.81 139.44 47.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.601 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD11 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.58 164.17 29.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.06 137.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.944 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.462 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.3 mp -112.36 112.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.79 150.67 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -134.36 150.07 50.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -107.05 138.08 43.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.481 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.2 4.08 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.5 -83.11 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 96.7 m-85 -142.53 155.5 63.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.452 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 66.9 Cg_endo -73.88 -0.81 9.95 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.4 -18.21 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 34.9 mmtp -60.36 146.83 83.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 113.04 3.22 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.466 2.111 . . . . 0.0 112.371 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.8 161.63 43.27 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.327 2.018 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.4 m -116.58 117.97 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.72 145.78 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -159.65 146.63 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.624 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 42.4 m-85 -69.32 147.8 50.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.03 -28.45 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.5 t -98.6 157.99 15.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HD3' ' H ' ' A' ' 76' ' ' MET . 3.2 tppp? -61.11 138.48 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.415 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -152.97 154.28 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 -179.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.63 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 64.9 t80 -131.11 115.53 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.301 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -132.71 156.64 79.86 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.988 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.0 -18.47 43.21 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.461 2.107 . . . . 0.0 112.314 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -138.47 118.32 13.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.837 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' H ' ' ND2' ' A' ' 123' ' ' ASN . 77.1 t -153.44 126.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.652 ' HD2' ' CD1' ' A' ' 82' ' ' TYR . 87.3 m-85 -72.63 168.2 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.91 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.32 -16.2 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.21 8.39 60.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -68.54 168.64 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.8 mp -97.89 137.64 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.55 109.92 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.7 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.545 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.24 146.24 36.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.243 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 89' ' ' LEU . 16.5 tt -66.6 -21.85 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.3 mt -76.51 -9.97 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.31 -163.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.64 -3.91 17.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -72.92 -17.99 61.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -57.14 142.44 42.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -134.01 142.88 45.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.77 -3.79 13.4 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.569 2.179 . . . . 0.0 112.328 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.4 m -75.05 -41.22 59.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -65.76 -179.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.6 -171.6 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.23 -26.22 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -66.42 -32.58 74.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.6 p -56.29 -42.6 77.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -31.76 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.414 HD21 HG23 ' A' ' 24' ' ' VAL . 1.8 mp -65.63 -54.54 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.5 p -65.19 -27.57 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -61.81 -48.56 80.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.1 -34.79 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HA ' HD22 ' A' ' 113' ' ' LEU . 61.6 tt0 -59.08 -33.46 70.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -72.24 -29.23 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.428 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.05 -56.35 20.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.563 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.569 HD21 ' H ' ' A' ' 113' ' ' LEU . 0.9 OUTLIER -67.41 -22.19 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 0.0 111.003 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.69 -40.67 72.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.85 0.271 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.02 -6.19 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.209 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 81' ' ' VAL . 37.9 m-80 -135.66 99.82 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.3 p -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -74.86 -48.39 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.44 65.75 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.67 75.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.34 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.3 -34.87 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.97 -27.63 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -70.25 -49.19 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.441 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.29 -76.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -126.99 85.01 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -63.81 -14.09 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.77 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -78.94 -34.8 44.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -69.41 -48.58 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 -36.8 73.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -64.4 -32.04 73.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.583 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -74.85 -30.99 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.699 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.21 -43.61 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -71.2 -34.46 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.12 19.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.3 pt -58.72 -32.38 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.784 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.56 -42.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.365 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.2 -34.65 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.156 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -69.02 -30.2 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -104.17 11.56 34.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -79.85 -36.1 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.374 2.05 . . . . 0.0 111.772 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 3' ' ' THR . . . -57.59 -34.06 68.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.452 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -66.34 -45.68 79.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -59.12 -32.81 70.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.957 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.9 mt -54.68 -33.24 60.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.9 mtp -72.73 -35.96 67.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.91 -37.24 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -70.59 -30.48 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -72.07 -56.1 6.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.424 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HZ1' ' HB2' ' A' ' 15' ' ' ARG . 3.5 pptp? -55.8 -31.96 63.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.164 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.494 ' HB2' ' HZ1' ' A' ' 14' ' ' LYS . 71.3 ttt180 -80.12 -26.23 39.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -71.5 -44.57 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.421 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.53 -27.24 68.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.761 0.315 . . . . 0.0 111.355 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.57 -50.67 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -141.91 70.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.95 144.47 8.27 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.87 146.65 85.4 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.458 2.105 . . . . 0.0 112.294 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.85 118.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.332 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.84 -23.69 31.72 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.673 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.91 166.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 m -149.77 141.89 24.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.59 110.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.636 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.69 151.95 23.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.062 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.71 121.12 8.15 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.508 2.138 . . . . 0.0 112.219 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -97.94 -76.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -106.73 -38.21 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.676 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.04 145.78 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.71 -174.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.14 -20.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.396 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.5 mtp -59.75 -63.83 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.65 137.68 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -114.43 144.81 42.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -100.92 102.82 13.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.61 149.89 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.392 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.68 119.9 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.916 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -110.94 122.25 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -95.01 133.77 38.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.759 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.19 146.99 47.74 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.61 177.02 8.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.501 2.134 . . . . 0.0 112.095 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.97 169.73 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.99 21.33 61.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.764 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.434 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 82.5 p -135.22 157.46 76.72 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 122.933 -0.157 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 43.8 Cg_endo -67.9 -2.82 9.36 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.314 2.009 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -102.1 -7.83 21.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.89 -35.05 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.441 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.96 -18.48 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.452 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -106.77 173.73 19.51 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.854 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -135.43 154.81 51.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.74 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.18 139.4 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 111.354 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -115.62 138.45 51.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.457 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.71 164.07 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.348 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.58 136.09 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.3 mp -108.1 112.26 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.1 124.53 36.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -105.48 148.08 27.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.1 p -128.77 144.31 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.273 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.92 -87.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 44.8 -98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.449 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.658 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 94.2 m-85 -147.09 147.23 28.4 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -62.13 -11.28 21.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.599 2.2 . . . . 0.0 112.462 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -98.33 -15.81 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 41.0 mmtm -67.85 148.33 98.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.83 142.34 28.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.511 2.141 . . . . 0.0 112.486 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.1 172.35 10.84 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.607 2.205 . . . . 0.0 112.451 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -118.0 112.73 20.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -119.99 148.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.877 0.37 . . . . 0.0 111.442 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -158.54 144.31 16.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.66 ' HE2' ' CE1' ' A' ' 72' ' ' PHE . 43.4 m-85 -70.79 148.36 47.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.3 mt -98.04 -44.6 6.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -82.94 156.77 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.15 124.85 20.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.58 164.18 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.649 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 77.0 t80 -142.59 108.08 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -120.61 157.62 53.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.06 -23.25 67.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.548 2.166 . . . . 0.0 112.264 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -140.97 118.96 11.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.26 144.14 13.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.659 ' HD1' ' CD2' ' A' ' 82' ' ' TYR . 96.4 m-85 -82.63 173.59 11.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -31.98 73.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.93 -13.09 56.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.48 4.83 57.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -64.84 163.11 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -99.4 136.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -91.53 101.49 14.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -125.91 150.4 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.766 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' H ' HD11 ' A' ' 89' ' ' LEU . 10.7 m-20 -78.86 -15.88 57.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.552 HG23 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -64.74 -28.23 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -67.57 -22.63 65.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.78 -165.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -67.87 -1.29 5.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.67 -0.55 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -79.81 140.34 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -121.84 153.02 60.14 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.03 4.56 6.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.626 2.217 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.8 p -89.32 -44.82 9.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -64.07 167.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -128.12 -170.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.43 -29.66 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.74 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.8 p -60.25 -32.5 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -60.07 -47.5 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.361 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -31.67 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.96 -46.55 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.4 p -72.78 -27.35 61.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.314 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -64.78 -48.35 74.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.8 mt -65.8 -35.15 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -66.53 -29.32 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.53 -32.28 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.839 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.05 -44.94 94.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.58 -58.78 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.671 0.196 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 -51.01 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.832 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.5 103.67 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.414 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -70.52 -30.0 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.281 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -65.16 -45.91 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.304 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.4 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.54 74.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.55 -38.67 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.175 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.27 -27.38 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.93 -31.75 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -103.7 -13.61 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -95.39 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.997 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -128.75 98.72 5.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -73.3 -22.9 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.745 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -69.9 -30.53 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.94 -27.49 49.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.397 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -71.47 -47.07 57.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.828 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.12 -34.07 77.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.2 -32.83 61.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -72.15 -40.21 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.43 -33.32 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.2 t -65.61 -30.44 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.31 -54.05 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.64 -31.11 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.486 HG11 ' HA3' ' A' ' 51' ' ' GLY . 40.0 t -78.16 -39.59 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.72 -32.05 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.48 -40.88 85.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -99.11 14.51 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.533 0.206 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.48 -34.03 54.95 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.565 2.177 . . . . 0.0 112.36 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.91 81.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.94 -33.74 64.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -57.65 -40.4 79.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -65.26 -36.77 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -28.63 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.004 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.74 -44.85 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.545 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -68.15 -31.04 70.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.284 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.12 -36.0 66.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.339 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -66.2 -39.48 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -52.87 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.326 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 4.0 tpm_? -67.44 -25.37 65.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.377 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.32 -51.75 19.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.574 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.41 -28.32 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.471 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.77 -39.35 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.069 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -147.89 80.03 9.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.35 157.84 55.8 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.529 2.153 . . . . 0.0 112.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.08 152.59 70.42 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.443 2.095 . . . . 0.0 112.055 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.88 127.1 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.82 -26.82 22.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.432 HG11 ' NE2' ' A' ' 110' ' ' GLN . 30.7 m -140.16 155.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t -142.79 142.65 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -147.5 103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.535 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.0 151.51 49.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.74 112.24 3.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.413 2.075 . . . . 0.0 112.223 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -87.53 -74.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -113.69 -29.76 7.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -69.74 145.82 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -58.31 177.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -57.46 -22.62 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.51 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.98 -38.97 92.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -118.56 134.14 55.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.403 ' O ' HG22 ' A' ' 56' ' ' VAL . 12.6 m0 -116.64 147.7 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.19 107.12 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.69 149.95 39.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.594 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.86 123.72 52.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.14 128.14 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -100.0 149.86 23.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.09 141.99 29.93 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.418 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.45 144.71 23.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.47 2.113 . . . . 0.0 112.21 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -57.98 128.59 37.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.82 1.97 32.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.3 p -120.83 157.72 53.99 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.379 0.133 . . . . 0.0 110.888 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.42 -1.45 6.52 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.442 2.095 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -103.08 -10.08 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -20.2 66.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.9 -32.11 45.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.295 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.62 -171.07 16.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.81 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -135.74 154.22 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -128.61 156.12 43.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.65 143.4 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.589 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -146.15 163.18 36.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.024 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 36' ' ' TRP . 10.4 p -122.37 146.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.36 110.7 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.007 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.57 125.17 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.612 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 75.7 m-85 -101.83 155.56 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.8 p -105.22 144.9 31.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.89 5.09 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.13 -82.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 97.5 m-85 -145.91 154.29 50.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.0 10.51 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.264 1.976 . . . . 0.0 112.438 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.56 -14.46 9.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 30.1 mmmt -63.96 151.56 89.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.734 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.04 120.97 9.25 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.395 2.064 . . . . 0.0 112.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.44 -177.62 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.359 2.039 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.3 113.5 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.448 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG12 HD12 ' A' ' 109' ' ' ILE . 80.9 t -132.48 134.68 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -166.99 135.64 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.96 132.43 48.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.59 -31.86 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.3 t -95.7 155.07 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.27 150.71 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.664 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -159.45 161.96 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.328 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -143.13 108.24 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.599 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.453 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 64.6 m80 -122.09 160.09 48.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 19.1 Cg_endo -58.57 -15.1 23.82 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.492 2.128 . . . . 0.0 112.184 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -153.92 118.65 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.466 ' N ' ' HB1' ' A' ' 122' ' ' ALA . 9.9 p -154.55 159.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.27 169.29 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.62 82.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.08 -2.44 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.22 0.06 59.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -60.92 148.7 38.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.736 0.303 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 87' ' ' ILE . 5.0 mp -91.36 132.09 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.405 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.11 96.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.3 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 108' ' ' SER . 0.5 OUTLIER -118.16 144.31 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.984 0.421 . . . . 0.0 111.122 -179.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.82 -15.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.502 ' H ' HD23 ' A' ' 89' ' ' LEU . 13.3 tt -73.3 -20.65 18.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.9 mt -71.44 -29.31 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.94 -163.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.472 HD21 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -64.74 -2.52 2.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.706 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.472 ' N ' HD21 ' A' ' 94' ' ' ASN . 83.3 mtp180 -80.34 8.67 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -88.79 148.28 24.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 m -143.98 148.99 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.454 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.41 15.9 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.345 2.03 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.9 m -93.54 -45.37 7.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.665 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 86.6 m-85 -67.12 175.2 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -137.98 -171.17 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.65 -22.45 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.752 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.4 t -69.78 -32.27 70.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.9 t -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.615 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -34.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.486 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.477 HD12 ' HA3' ' A' ' 26' ' ' GLY . 24.5 mt -61.65 -49.7 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.339 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.5 p -67.28 -27.81 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.526 ' HB3' HD22 ' A' ' 89' ' ' LEU . 74.5 m -63.98 -46.05 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.392 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.488 HD12 HG12 ' A' ' 70' ' ' VAL . 79.5 mt -63.77 -44.65 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.432 ' NE2' HG11 ' A' ' 24' ' ' VAL . 35.4 tt0 -60.07 -35.61 75.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -65.06 -29.23 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.818 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.06 -23.27 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.695 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.78 -43.86 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.708 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.82 -42.69 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.174 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.77 0.238 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HB1' ' N ' ' A' ' 81' ' ' VAL . . . -111.91 -20.82 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.419 . . . . 0.0 110.312 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -120.54 111.09 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.652 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 56.7 m -70.83 -28.6 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.379 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -74.22 -45.82 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.233 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.19 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.99 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.582 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.82 -50.78 61.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.147 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.1 -27.38 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.056 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.07 -23.57 63.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -98.53 -60.06 1.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.34 -79.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.413 ' HB3' ' HG2' ' A' ' 136' ' ' GLU . 41.4 m-80 -116.8 96.12 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.95 -20.8 63.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -69.43 -37.44 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 133' ' ' ASN . 10.1 mm-40 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 60.7 t80 -78.37 -52.06 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.426 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.15 -36.36 75.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -61.13 -33.95 74.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -76.18 -40.35 52.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.27 -35.7 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m -69.28 -30.85 69.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.77 -54.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.529 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 pt -57.15 -41.03 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.743 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.22 -30.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.209 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.1 -32.64 74.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -67.05 -24.87 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.5 m -93.6 -4.55 50.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.548 0.213 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.07 -29.25 40.38 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.68 68.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.21 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.454 ' HG2' HG12 ' A' ' 33' ' ' ILE . 6.1 tmm_? -66.04 -30.83 71.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.68 -44.71 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -59.57 -43.84 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.6 -28.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.46 -37.29 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -74.97 -28.83 60.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -73.48 -40.32 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.621 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 18.5 t80 -59.8 -39.78 86.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -51.55 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.626 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 1.2 tpm_? -57.85 -30.35 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.6 -44.37 97.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.97 -45.01 87.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.38 -25.25 67.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.176 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -160.72 82.22 2.1 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.295 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.47 151.23 25.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.751 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HG3' HD13 ' A' ' 106' ' ' LEU . 55.9 Cg_endo -70.23 141.12 42.5 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.171 1.914 . . . . 0.0 112.244 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.8 137.23 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 -17.19 51.31 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG13 ' HA ' ' A' ' 40' ' ' ILE . 19.6 m -144.7 149.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.486 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -128.02 150.1 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -158.58 85.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.73 152.87 63.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.524 0.202 . . . . 0.0 111.082 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.17 115.71 4.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 112.001 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.8 t -84.93 -87.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -102.96 -5.93 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.568 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -85.15 146.02 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.782 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -61.86 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.257 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.454 HG12 ' HG2' ' A' ' 6' ' ' ARG . 9.2 tp -60.15 -26.29 35.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.5 -69.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.522 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.24 140.99 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.415 ' O ' HG21 ' A' ' 56' ' ' VAL . 10.8 m0 -120.43 172.18 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.557 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -125.54 112.9 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.484 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.64 150.51 48.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 111.609 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 3.6 p -136.55 132.06 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.415 ' HA ' HG13 ' A' ' 24' ' ' VAL . 84.8 mt -119.79 128.31 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -101.39 142.83 32.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.72 138.91 48.76 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.447 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.75 159.28 51.21 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.392 2.061 . . . . 0.0 112.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.78 116.12 8.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.2 8.9 10.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -126.99 157.42 72.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.353 0.121 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.02 -1.53 6.33 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.17 1.913 . . . . 0.0 112.283 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.628 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 21.8 m-85 -104.66 -6.25 20.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.26 -31.82 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.55 -45.83 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.7 171.14 55.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.719 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -125.16 152.14 44.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.667 0.27 . . . . 0.0 110.758 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.593 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 74.6 m-85 -137.11 137.93 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 111.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 67.7 mttm -122.31 128.35 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.314 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.68 164.14 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 36' ' ' TRP . 7.4 p -122.33 143.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.619 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 70' ' ' VAL . 4.7 mp -116.09 109.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.5 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.68 123.63 33.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.91 150.55 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -113.3 160.8 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HB2' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -93.07 10.8 29.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.628 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 97.5 m-85 -143.96 151.75 53.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.76 -25.53 79.48 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.52 2.147 . . . . 0.0 112.295 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -98.7 -12.87 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 63' ' ' TYR . 1.5 tpmt? -55.27 131.06 69.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.44 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 11.7 Cg_endo -54.88 109.05 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.583 2.189 . . . . 0.0 112.277 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.27 -173.77 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.299 2.0 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.1 m -129.93 137.38 50.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG13 ' A' ' 57' ' ' ILE . 10.4 p -140.16 149.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -165.69 150.61 8.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 30.8 m-85 -77.89 136.55 38.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.237 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.07 -53.53 10.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.841 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -71.23 -13.62 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 56.35 96.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.465 ' HB2' HD13 ' A' ' 144' ' ' ILE . 20.9 ptm -102.53 164.04 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.606 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 53.5 t80 -87.71 121.22 29.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.239 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.87 156.37 62.26 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.741 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.29 -31.92 34.26 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.153 . . . . 0.0 111.868 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -136.11 119.11 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.72 151.71 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -87.37 163.7 16.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.97 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.02 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.9 -13.55 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.03 2.59 74.41 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.583 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -70.36 150.9 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.01 135.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -70.77 105.86 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.461 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -152.44 138.59 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' H ' HD11 ' A' ' 89' ' ' LEU . 3.7 m-20 -65.23 -19.05 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.461 ' H ' HD13 ' A' ' 89' ' ' LEU . 14.7 tt -73.23 -27.29 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.281 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.48 -26.4 66.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.97 -167.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -69.45 -0.42 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -72.27 -12.0 60.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.619 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -58.26 144.94 39.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 m -131.14 148.5 70.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.1 -7.89 21.29 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.428 2.086 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.9 p -74.3 -35.48 63.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -74.08 173.36 10.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -125.3 -173.78 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.9 -34.63 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.4 p -60.93 -32.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -57.58 -42.77 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -29.97 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD12 ' HA3' ' A' ' 26' ' ' GLY . 96.0 mt -65.84 -54.16 30.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.777 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.0 p -61.97 -28.59 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -63.97 -48.41 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.44 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.92 -32.61 74.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.678 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 t -65.71 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.834 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.49 -32.1 69.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.93 -45.08 62.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.27 -64.93 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.071 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo . . . . . 0 N--CA 1.463 -0.307 0 CA-C-O 120.825 0.26 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.05 -42.85 6.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.61 HD21 ' H ' ' A' ' 126' ' ' ALA . 3.4 t30 -107.14 101.74 11.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.6 p -70.35 -31.22 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.768 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -36.69 84.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.772 0.32 . . . . 0.0 111.311 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.61 ' H ' HD21 ' A' ' 123' ' ' ASN . . . -74.42 -54.82 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.646 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.01 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.399 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.38 -27.17 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.653 ' HE2' ' CE1' ' A' ' 130' ' ' TYR . 77.2 t80 -62.54 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -94.71 -17.81 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -93.34 -79.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.223 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -112.07 99.7 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -72.7 -24.02 60.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.93 -30.17 66.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.03 -27.62 61.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.401 ' O ' HG21 ' A' ' 141' ' ' VAL . 57.9 t80 -75.98 -48.85 19.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.101 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.65 -49.14 77.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.614 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.33 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.18 -32.88 72.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 137' ' ' TYR . 86.8 t -66.89 -45.11 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.2 p -68.78 -30.13 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -52.87 26.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.592 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.581 ' HA ' HE21 ' A' ' 147' ' ' GLN . 34.6 pt -60.88 -38.55 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.469 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.95 -36.22 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.962 0.411 . . . . 0.0 110.787 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.57 -28.72 70.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.032 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' A' ' 144' ' ' ILE . 38.7 mt-30 -58.21 -50.78 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.226 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.2 t -98.64 -80.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.591 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.655 0.264 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.95 -36.53 22.43 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.666 2.244 . . . . 0.0 112.575 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -57.07 -44.85 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -66.75 -51.87 50.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.438 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -60.2 -29.24 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.754 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -42.87 64.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.691 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.92 -29.15 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.558 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HB3' HG13 ' A' ' 102' ' ' VAL . 12.5 m-20 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.69 -44.49 96.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -51.55 -39.71 58.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.171 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -79.52 -25.5 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -45.27 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.55 -33.45 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.71 -31.87 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.099 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -159.91 88.8 1.91 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.93 158.55 50.78 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.5 2.133 . . . . 0.0 112.31 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -64.89 159.43 46.06 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.99 126.88 43.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.62 -30.35 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.67 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.39 148.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.207 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.1 t -131.76 144.67 51.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.514 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.96 115.85 0.7 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.776 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.82 151.19 17.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.376 0.132 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.14 114.83 3.17 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.34 2.027 . . . . 0.0 112.234 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -101.08 -75.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -102.12 -44.3 5.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -66.75 145.91 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.7 -173.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 tt -56.37 -27.73 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -59.32 -62.27 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.128 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.46 HE21 HG22 ' A' ' 56' ' ' VAL . 37.9 mt-30 -99.05 134.94 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.062 0.458 . . . . 0.0 111.182 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -112.44 150.93 30.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.248 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.88 108.87 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.23 149.31 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.622 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -128.97 121.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.414 HD13 HD13 ' A' ' 55' ' ' LEU . 67.7 mt -110.59 133.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.644 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 39.3 m-85 -104.02 133.81 48.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.83 141.49 44.84 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HG3' ' HB2' ' A' ' 114' ' ' ASP . 29.9 Cg_endo -63.1 -177.74 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.395 2.063 . . . . 0.0 112.169 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -87.23 163.25 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.749 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.2 21.47 56.63 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.659 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -126.51 155.76 74.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.472 0.136 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.88 -2.97 10.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.183 1.922 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.85 -7.36 22.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.656 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.11 -29.27 68.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.83 -33.86 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.432 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.64 176.33 34.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.087 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.1 p -136.69 143.78 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 0.0 110.741 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 58.3 m-85 -123.82 145.16 49.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 111.32 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -120.14 136.5 54.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.496 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.68 164.46 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.491 -179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG22 HE21 ' A' ' 35' ' ' GLN . 7.1 p -122.8 138.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.45 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.4 mp -107.43 110.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.59 139.24 36.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.657 ' HD1' ' CD2' ' A' ' 59' ' ' PHE . 88.4 m-85 -114.0 138.91 49.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.572 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -108.25 124.39 50.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.36 94.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.62 -78.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.73 154.25 58.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.81 -7.88 20.84 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.391 2.06 . . . . 0.0 112.409 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -119.97 9.72 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -82.25 131.77 55.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.73 135.3 66.8 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.306 2.004 . . . . 0.0 112.316 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.33 -179.39 5.36 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.454 2.102 . . . . 0.0 112.505 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.01 114.38 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 p -127.1 144.6 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -156.87 149.93 23.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.6 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 53.2 m-85 -71.01 144.65 50.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.89 -37.97 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -94.73 177.49 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.983 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 11.3 mmpt? -72.53 135.68 45.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.78 160.73 42.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 57.3 t80 -138.89 115.96 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -129.92 157.79 75.8 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.95 -25.32 79.21 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.507 2.138 . . . . 0.0 112.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -135.24 119.45 17.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.25 147.84 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.54 -171.86 3.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.14 11.51 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.02 80.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.415 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -65.4 152.95 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.7 0.285 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.7 mp -92.68 139.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.8 t -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -145.65 139.59 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' H ' HD11 ' A' ' 89' ' ' LEU . 7.2 m-20 -61.55 -25.86 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.506 ' H ' HD13 ' A' ' 89' ' ' LEU . 18.9 tt -69.42 -21.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.71 -18.09 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.42 -163.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.797 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.37 -4.16 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -75.99 -13.89 60.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -58.27 145.12 38.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.5 m -137.4 147.27 57.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.606 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.43 -5.43 17.11 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.356 2.037 . . . . 0.0 112.554 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -76.42 -35.13 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.643 ' HE2' ' CE1' ' A' ' 100' ' ' TYR . 74.5 m-85 -68.32 178.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.68 177.74 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.444 HG13 ' HB3' ' A' ' 12' ' ' ASP . 9.0 p -61.11 -21.98 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.697 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.3 t -68.74 -33.66 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -68.43 -50.25 54.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.391 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -34.37 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.272 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.68 -43.43 97.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.4 p -74.49 -27.29 60.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -61.19 -36.1 78.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.39 -40.15 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -61.81 -42.7 99.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.8 tm? -58.62 -39.38 80.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.341 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.04 -44.23 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.428 ' HB2' ' HG3' ' A' ' 43' ' ' PRO . 17.3 t70 -57.22 -52.61 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.159 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.532 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.257 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo . . . . . 0 C--O 1.23 0.098 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.97 -41.6 9.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.26 111.9 24.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 p -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.561 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.08 -53.08 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.488 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.38 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.8 76.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.668 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.63 -48.97 62.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.576 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.597 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 85.6 t80 -63.32 -35.61 80.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -98.99 -12.87 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.501 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -97.06 -76.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -114.3 102.53 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.73 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -69.55 -28.97 66.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.421 ' HB3' ' ND2' ' A' ' 133' ' ' ASN . 52.5 ttp180 -61.74 -33.63 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.289 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.72 -28.1 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.355 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -74.38 -49.69 21.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.77 -45.16 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.376 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -58.39 -33.14 69.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.32 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 140' ' ' ARG . 3.6 mmp_? -71.69 -35.06 70.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.25 -50.97 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.3 t -68.14 -30.3 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -56.12 12.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 40.2 pt -59.22 -32.99 49.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.752 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.83 -38.33 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.97 -42.99 95.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.13 -34.85 77.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.7 t -99.63 15.14 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.818 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.599 0.238 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.98 -33.69 62.02 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.585 2.19 . . . . 0.0 112.279 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.68 86.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' MET . 79.9 ttt180 -63.35 -53.64 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.88 -39.39 91.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.435 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 29.2 mmt180 -63.57 -50.64 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -65.1 -30.81 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 74.2 mtp -60.27 -31.18 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -67.16 -30.41 70.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.421 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.31 -30.7 71.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.615 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 26.6 t80 -64.17 -49.92 70.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -36.62 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.125 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -68.72 -32.04 71.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.2 -46.77 88.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.85 -34.86 73.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.43 -50.66 72.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -140.31 80.53 19.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.689 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 33.8 Cg_endo -64.37 139.85 67.21 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.551 2.167 . . . . 0.0 112.292 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HG3' ' HB3' ' A' ' 103' ' ' SER . 23.3 Cg_exo -64.36 145.97 89.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.456 2.104 . . . . 0.0 112.145 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.31 135.17 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.13 -17.67 49.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.678 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.496 ' HB ' HD13 ' A' ' 106' ' ' LEU . 31.4 m -141.27 144.88 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 111.55 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 26' ' ' GLY . 46.9 t -123.46 156.33 35.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.352 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' N ' ' HG ' ' A' ' 25' ' ' SER . . . -171.92 98.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.673 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.54 152.66 27.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.471 0.177 . . . . 0.0 111.063 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.31 110.23 2.61 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.475 2.117 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 t -86.85 -79.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -116.48 -15.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -78.08 146.9 34.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.33 178.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.791 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 9' ' ' LEU . 9.0 tp -62.39 -32.57 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.58 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -77.85 1.89 18.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.579 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HG3' HG23 ' A' ' 56' ' ' VAL . 45.8 tt0 -144.06 112.1 6.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 111.03 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.421 ' O ' HG22 ' A' ' 56' ' ' VAL . 19.6 m0 -108.44 152.78 24.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -102.89 112.67 25.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB2' HD12 ' A' ' 106' ' ' LEU . . . -127.83 149.99 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.436 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 4.8 p -137.2 121.33 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HA ' HG13 ' A' ' 24' ' ' VAL . 72.1 mt -104.78 126.54 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.325 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 4.5 m-85 -93.58 137.28 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.58 136.45 41.88 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.89 137.22 29.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.68 112.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.85 -6.74 6.14 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 59.3 p -115.56 158.35 41.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.29 0.09 . . . . 0.0 110.817 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 32.3 Cg_endo -64.51 -1.19 3.64 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.234 1.956 . . . . 0.0 112.548 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.63 -13.88 16.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -20.72 65.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.38 -27.26 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.39 -169.15 12.86 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.828 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.3 p -132.24 166.94 20.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.71 0.29 . . . . 0.0 110.69 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -144.01 139.05 28.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 65.7 mttm -118.0 123.25 45.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.25 163.49 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 36' ' ' TRP . 7.2 p -117.05 141.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.8 mp -112.14 109.78 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.69 132.59 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.614 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 91.2 m-85 -109.74 151.15 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -101.56 145.19 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.75 11.87 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.45 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.004 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.534 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 82.6 m-85 -147.11 154.37 46.28 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 57.3 Cg_endo -71.75 4.38 3.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.473 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -113.99 -17.05 12.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.026 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 45.2 mmtm -64.9 153.86 87.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.37 114.01 2.89 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.51 2.14 . . . . 0.0 112.201 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.05 179.63 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.465 2.11 . . . . 0.0 112.608 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.15 136.76 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.34 138.69 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -152.93 140.13 19.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.35 154.93 36.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -111.77 -38.13 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -87.12 24.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 62.56 162.65 0.09 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -162.61 164.2 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 30.9 t80 -141.36 107.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -129.16 155.98 79.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.55 -25.97 80.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.53 2.154 . . . . 0.0 112.047 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -133.01 118.28 18.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.53 151.32 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.688 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.65 ' HE2' ' CE1' ' A' ' 82' ' ' TYR . 88.0 m-85 -85.63 161.78 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.75 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.41 -13.58 59.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.12 1.6 62.79 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -65.52 152.66 43.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.2 mp -82.73 135.56 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 79.2 m -78.59 101.67 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.431 HD11 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -143.99 143.43 31.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' H ' HD11 ' A' ' 89' ' ' LEU . 13.5 m-20 -76.36 -23.28 54.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.415 HD12 ' HG ' ' A' ' 104' ' ' SER . 16.3 tt -69.63 -22.6 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.17 -10.3 47.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.92 -158.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.86 -12.28 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -74.17 -10.76 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.058 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -57.8 134.91 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.2 m -122.68 145.93 46.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.17 -1.14 9.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.658 2.238 . . . . 0.0 112.603 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 t -80.51 -26.04 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.564 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -75.67 -179.02 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.65 -173.71 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.26 -25.14 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB3' ' HG3' ' A' ' 21' ' ' PRO . 54.8 m -71.04 -32.47 69.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.223 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.415 ' HG ' HD12 ' A' ' 91' ' ' ILE . 48.2 t -62.36 -51.89 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.518 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.62 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.156 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.496 HD13 ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -62.7 -52.67 62.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.9 p -71.85 -27.45 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.511 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.0 m -58.07 -48.61 79.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.6 -36.88 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.01 -32.91 73.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.719 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.0 m -64.43 -29.63 70.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.25 -24.11 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.52 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.24 -44.7 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.9 -36.6 59.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.296 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.856 0.273 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -106.52 -37.45 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -111.12 108.36 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.5 m -69.68 -30.73 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.19 -52.29 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 111.156 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.12 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.42 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.65 -34.97 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -73.13 -44.67 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.65 -27.51 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.89 -39.4 93.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.69 -10.28 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.171 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.5 -80.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -116.57 98.25 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -69.35 -23.37 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.24 -35.49 79.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -74.63 -27.31 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.665 ' HD1' ' CD2' ' A' ' 137' ' ' TYR . 54.7 t80 -75.62 -41.58 53.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.272 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.19 -33.68 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.91 -32.1 67.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -73.02 -44.56 60.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.78 -37.18 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.9 p -71.58 -30.48 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -55.91 9.45 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 38.7 pt -56.25 -31.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 31.1 t -79.26 -31.99 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.49 -43.19 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.26 -31.23 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.309 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.0 m -101.06 13.48 35.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.62 -32.24 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.438 2.092 . . . . 0.0 112.178 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.427 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.2 -33.73 75.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -66.11 -48.6 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.042 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.76 -33.8 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.677 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -63.9 -46.4 85.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.113 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.46 -28.79 63.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.54 -39.6 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -73.33 -31.69 64.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.031 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.6 -40.08 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.267 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -68.55 -32.46 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.019 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -39.82 77.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -79.84 -25.46 40.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 102' ' ' VAL . 8.0 tt -69.48 -43.36 73.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.344 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.96 -30.08 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.359 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.82 -51.05 64.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.802 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.04 82.87 8.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.51 158.15 47.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.497 2.132 . . . . 0.0 112.294 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.12 157.66 56.19 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.485 2.124 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.28 141.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.63 -23.19 7.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 40' ' ' ILE . 19.1 m -140.09 158.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.9 t -141.48 144.41 34.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.13 117.31 0.86 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.57 151.5 15.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.502 0.192 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.8 115.1 3.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.494 2.129 . . . . 0.0 112.345 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 m -99.78 -71.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -82.67 -63.79 1.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.477 HD22 ' HB2' ' A' ' 34' ' ' MET . 2.6 t30 -65.39 146.53 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.53 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.0 tt -123.9 -27.69 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.477 ' HB2' HD22 ' A' ' 31' ' ' ASN . 1.6 mpt? -51.83 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -89.42 143.82 26.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -119.88 144.02 47.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.284 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.82 113.1 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.85 149.88 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.305 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -128.23 128.71 68.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.491 ' HA ' HG13 ' A' ' 24' ' ' VAL . 77.1 mt -116.51 125.72 73.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -98.23 140.42 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.59 139.61 48.08 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.703 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' HD13 ' A' ' 113' ' ' LEU . 69.3 Cg_endo -74.58 153.18 43.84 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.504 2.136 . . . . 0.0 112.398 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.21 115.6 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.17 16.78 5.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -135.76 157.43 76.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.416 0.15 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.77 0.6 3.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.599 2.199 . . . . 0.0 112.18 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.601 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 22.6 m-85 -107.12 -8.8 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.61 -28.26 65.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.02 -20.74 30.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.483 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -108.29 178.74 21.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.876 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.2 p -135.31 146.43 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.596 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 56.3 m-85 -129.47 149.63 51.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -126.84 138.99 53.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.91 164.32 29.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.07 137.49 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.879 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.0 mp -108.99 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -91.62 125.05 36.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.99 146.53 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 62' ' ' GLU . 61.9 m -112.99 134.13 54.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.42 11.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.625 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 60' ' ' SER . 14.6 mm-40 -57.2 -80.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.257 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 97.3 m-85 -141.48 155.58 67.19 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.26 -9.73 26.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.51 2.14 . . . . 0.0 112.313 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -110.07 -14.32 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.76 130.81 85.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.42 135.14 64.74 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.392 2.062 . . . . 0.0 112.482 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.57 174.29 12.0 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.496 2.13 . . . . 0.0 112.33 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 140.66 50.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.09 143.79 17.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -158.62 144.21 16.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.038 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.57 142.3 50.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -79.81 -32.72 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 m -97.06 155.01 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 17.2 tptp -71.26 115.9 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.3 ttp -124.16 143.79 50.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.018 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 71.2 t80 -103.41 110.58 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -130.47 138.74 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -46.65 -29.02 7.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.93 2.42 . . . . 0.0 112.911 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.3 m120 -131.57 118.57 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.25 156.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.656 ' HD1' ' CD2' ' A' ' 82' ' ' TYR . 85.4 m-85 -96.78 171.85 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.76 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.7 -3.75 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.91 75.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.406 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.6 m -70.56 -178.29 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.658 0.266 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.401 HD13 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -120.47 138.41 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.47 93.78 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.17 150.09 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.1 -8.39 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.3 tt -73.07 -16.9 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.193 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.51 -8.42 59.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -85.17 -155.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -62.86 -11.74 20.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.31 -8.3 57.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -62.06 140.32 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.5 m -123.44 146.55 50.04 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.11 -30.79 8.45 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.412 2.075 . . . . 0.0 112.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 30.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.723 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -55.18 169.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -137.2 147.14 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.48 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.408 ' HB ' HD13 ' A' ' 16' ' ' LEU . 60.2 t -56.89 -31.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.86 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.5 t -65.35 -46.6 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -30.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.739 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.64 -49.29 26.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -64.29 -27.74 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -66.69 -46.07 76.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -72.95 -36.14 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.45 -36.67 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.055 0.455 . . . . 0.0 110.595 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.7 m -68.93 -29.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.83 -28.51 64.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.772 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.407 HD13 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -75.39 -44.02 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.401 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.81 -66.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.887 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.261 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -94.77 -29.52 14.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.805 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -121.3 118.53 29.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.372 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -69.8 -49.55 51.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.543 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -61.47 -47.87 83.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.53 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.52 -49.67 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.628 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.36 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.421 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.17 -32.33 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.335 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.99 -27.15 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.12 -28.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.38 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.62 -43.71 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.28 -78.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -112.76 91.29 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -66.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -32.51 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.31 -27.23 61.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.608 ' HE2' ' CE1' ' A' ' 137' ' ' TYR . 80.8 t80 -74.09 -50.5 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.45 -35.94 75.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -67.81 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -71.67 -33.36 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.93 -48.48 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.345 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.5 m -66.65 -30.42 70.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.35 3.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -56.6 -31.96 35.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.784 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.402 HG11 ' HA3' ' A' ' 51' ' ' GLY . 41.5 t -72.44 -46.28 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.57 -34.22 76.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.662 0.268 . . . . 0.0 111.384 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.33 -45.41 80.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.4 m -95.21 13.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.732 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.455 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 9.8 Cg_endo -79.21 -32.48 1.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.329 2.019 . . . . 0.0 111.997 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.499 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.54 -34.08 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.105 0.478 . . . . 0.0 110.299 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -66.45 -50.71 62.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.971 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' HE ' ' HA ' ' A' ' 4' ' ' PRO . 83.9 mtm180 -59.95 -34.4 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' HG2' ' HB3' ' A' ' 64' ' ' PRO . 23.7 tpp180 -59.46 -49.83 76.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' HB2' HD12 ' A' ' 33' ' ' ILE . 96.1 mt -56.23 -36.28 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtt -66.73 -36.25 82.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 HH11 ' HZ2' ' A' ' 14' ' ' LYS . 32.3 mmt180 -66.24 -33.05 74.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.631 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.99 -30.58 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -69.95 -50.29 43.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.222 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HZ2' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -61.85 -32.26 72.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -79.49 -25.46 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -73.44 -44.44 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.55 -40.47 95.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.578 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.56 -21.32 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.37 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -170.77 85.16 0.52 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.386 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.98 162.53 26.27 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.618 2.212 . . . . 0.0 112.281 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.3 142.11 26.59 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.489 2.126 . . . . 0.0 112.15 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.32 128.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.96 -23.68 30.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.658 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.413 HG13 HG21 ' A' ' 40' ' ' ILE . 20.0 m -140.59 139.51 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.695 0.284 . . . . 0.0 111.35 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -115.19 142.39 46.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.41 90.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.585 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.32 155.25 61.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.47 0.176 . . . . 0.0 111.062 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.39 120.06 6.95 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.379 2.052 . . . . 0.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 m -115.98 93.96 4.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.52 -4.49 0.56 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -95.47 146.12 24.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.92 163.37 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 9' ' ' LEU . 19.5 tt -57.45 -22.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.31 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.87 132.33 37.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -119.59 153.08 36.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -103.68 129.16 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.99 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.25 150.8 35.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.0 111.692 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG21 ' HG2' ' A' ' 54' ' ' LYS . 7.3 p -136.36 134.5 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.739 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.413 HG21 HG13 ' A' ' 24' ' ' VAL . 83.1 mt -117.54 130.14 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -97.78 133.91 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.96 149.02 22.55 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' HD13 ' A' ' 113' ' ' LEU . 52.3 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.465 2.11 . . . . 0.0 112.403 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.14 120.59 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.4 14.49 12.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.3 p -127.05 158.19 69.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.983 -0.128 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HB2' HG12 ' A' ' 141' ' ' VAL . 44.1 Cg_endo -68.19 3.7 1.94 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.39 2.06 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.661 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 25.5 m-85 -109.2 -10.54 14.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.17 -28.86 63.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.96 -27.31 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.382 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.42 174.11 29.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.901 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.6 p -133.26 129.81 38.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 73.9 m-85 -115.37 135.97 53.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.19 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 39' ' ' VAL . 8.6 mtmm -111.88 147.61 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -145.02 164.38 31.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.349 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.0 139.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.983 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.06 115.96 51.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -101.68 138.47 38.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 97.8 m-85 -116.6 155.88 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -103.89 134.32 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.683 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.89 -8.14 26.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.366 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.33 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.785 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -148.13 148.88 30.88 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HB3' ' HG2' ' A' ' 8' ' ' ARG . 23.2 Cg_exo -64.39 -15.87 52.05 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.564 2.176 . . . . 0.0 112.541 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.22 -25.07 20.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.519 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.2 147.54 17.76 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.9 110.22 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.435 2.09 . . . . 0.0 112.36 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.4 160.43 45.55 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.408 2.072 . . . . 0.0 112.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 m -122.4 118.15 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 87' ' ' ILE . 9.4 p -136.77 141.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -156.94 153.53 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' A' ' 72' ' ' PHE . 23.2 m-85 -77.99 141.66 38.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.0 -36.38 30.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.275 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -86.01 171.67 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.747 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -94.17 119.09 32.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.047 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.1 ptm -128.92 162.89 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 1.617 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 58.0 t80 -118.52 108.05 14.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.593 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -119.1 138.15 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.18 -24.24 14.61 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.591 2.194 . . . . 0.0 112.321 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -140.38 118.31 11.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 ' N ' ' HB1' ' A' ' 122' ' ' ALA . 7.5 p -154.76 158.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -86.02 176.83 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.26 69.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.383 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.47 -14.19 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.57 10.98 34.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.614 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -65.18 160.27 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.472 HD11 HG11 ' A' ' 70' ' ' VAL . 4.7 mp -96.11 143.0 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.79 110.28 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.492 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -144.77 143.98 30.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.756 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.62 -24.51 62.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.492 ' H ' HD13 ' A' ' 89' ' ' LEU . 15.3 tt -69.88 -22.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -70.82 -29.23 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.044 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.45 -163.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -64.77 -4.89 4.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.306 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.9 -6.41 44.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.59 141.27 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.7 m -129.02 150.02 74.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.03 12.79 2.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.54 2.16 . . . . 0.0 112.703 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.6 p -97.92 -16.47 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.668 ' HD1' ' CD2' ' A' ' 100' ' ' TYR . 96.8 m-85 -90.11 160.32 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -107.7 -172.81 2.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.79 -22.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -70.37 -32.61 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.6 t -57.12 -51.64 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.204 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -27.96 34.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.91 -46.3 85.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -74.63 -28.79 61.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.542 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.0 m -57.03 -48.64 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.225 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.32 -38.04 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.77 -35.2 77.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.4 t -70.84 -29.32 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.017 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.74 -26.89 64.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.401 HD13 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -76.3 -41.34 48.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.97 -62.15 2.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.931 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.716 0.215 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' N ' ' A' ' 81' ' ' VAL . . . -104.49 -16.66 15.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.403 ' HB3' ' HB1' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -134.58 100.44 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.43 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 76.0 p -66.44 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.46 -50.84 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 123' ' ' ASN . . . -56.43 -47.12 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.3 75.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.483 HE21 ' HG2' ' A' ' 132' ' ' GLU . 22.1 tp60 -60.56 -51.33 69.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.11 -30.94 70.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.361 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.649 ' HD2' ' CD1' ' A' ' 130' ' ' TYR . 77.9 t80 -57.35 -33.7 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.82 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.08 -15.07 15.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.483 ' HG2' HE21 ' A' ' 128' ' ' GLN . 20.1 mm-40 -96.34 -76.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -102.47 83.68 2.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.08 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.59 ' HZ1' ' HB3' ' A' ' 134' ' ' LYS . 8.1 mtpm? -66.41 -27.54 67.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -70.38 -30.68 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.407 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -79.08 -27.69 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -74.88 -45.55 42.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.47 -51.92 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.173 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -57.07 -31.99 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.55 -35.84 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.079 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 47' ' ' PRO . 60.4 t -60.04 -46.78 93.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.0 t -70.59 -30.22 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.283 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.55 -57.46 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.61 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 145' ' ' VAL . 35.6 pt -59.21 -40.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 144' ' ' ILE . 74.2 t -64.47 -48.27 85.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.431 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.01 -35.84 59.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.661 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -64.33 -43.39 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.9 t -98.95 15.71 24.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.1 t90 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.56 -29.67 90.48 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.654 2.236 . . . . 0.0 112.444 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.89 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.65 -52.98 62.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.83 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.357 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -36.32 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 55.2 mtt -57.28 -39.5 75.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.826 0.346 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -59.89 -30.21 68.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 27.1 t80 -62.55 -48.47 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -55.42 -40.83 71.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 0.0 109.937 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -63.44 -31.7 72.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.022 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.24 -42.26 84.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.7 -39.52 80.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.235 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.19 -35.06 78.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.148 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -163.39 89.25 1.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.538 ' HA ' HD11 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -65.81 157.04 61.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.189 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HG3' HD13 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -59.64 154.09 51.12 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 112.053 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.99 137.49 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.78 -22.63 8.83 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.381 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' ' 40' ' ' ILE . 18.9 m -139.7 167.9 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 p -146.66 133.92 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.488 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -143.93 111.17 0.61 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.6 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.56 154.27 22.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.62 109.56 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.324 2.016 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.3 p -70.61 -62.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.73 -33.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -62.81 146.75 51.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.669 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.464 ' ND2' ' H ' ' A' ' 33' ' ' ILE . 3.1 t-20 -48.29 167.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 19.5 tt -58.08 -18.69 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.741 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.8 mtp -74.72 -2.45 26.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.338 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -147.32 115.42 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.69 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -111.17 139.42 46.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.28 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -104.05 124.34 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.22 150.17 48.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 0.0 111.646 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -119.8 109.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.49 ' HA ' HG13 ' A' ' 24' ' ' VAL . 61.8 mt -103.83 134.11 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -105.06 130.74 53.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.25 144.34 42.75 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.49 155.6 59.39 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.417 2.078 . . . . 0.0 112.367 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.09 118.56 14.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.52 16.61 6.42 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -131.54 159.52 71.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.318 0.104 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.83 2.95 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.201 1.934 . . . . 0.0 112.412 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.609 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 17.9 m-85 -107.7 -7.23 16.46 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.93 -31.56 72.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.495 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.5 2.49 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.552 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -139.54 179.83 18.37 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -131.18 161.02 33.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.627 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 74.2 m-85 -139.81 159.33 42.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.219 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -135.05 134.9 40.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.685 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.38 164.13 29.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.313 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -119.72 134.41 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.0 mp -107.54 110.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.69 144.5 25.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 97.8 m-85 -121.93 133.07 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -96.47 140.83 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.96 9.39 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.67 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -144.17 154.05 57.19 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.92 -19.61 64.05 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.45 2.1 . . . . 0.0 111.958 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.74 -15.86 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.541 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 51.8 tptt -60.79 128.93 89.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.541 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 24.5 Cg_endo -61.72 115.8 3.02 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.295 1.997 . . . . 0.0 112.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.69 178.85 0.6 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.365 2.043 . . . . 0.0 112.247 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 m -125.32 120.36 30.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -128.69 146.05 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -160.89 150.85 17.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.8 136.18 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.17 -45.06 16.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -86.1 169.86 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -57.94 135.63 56.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -145.7 160.25 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.072 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -148.9 111.37 4.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -131.73 156.03 80.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.76 -22.68 74.11 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.398 2.065 . . . . 0.0 112.316 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 15.5 m120 -130.93 118.35 20.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 123' ' ' ASN . 9.2 p -154.83 161.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.655 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 93.8 m-85 -103.66 172.02 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.868 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.99 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.61 -11.77 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.5 1.64 60.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.695 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -65.96 169.74 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 87' ' ' ILE . 3.2 mp -105.0 149.65 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.57 104.74 15.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.631 ' HB3' HG23 ' A' ' 91' ' ' ILE . 8.4 mp -119.98 126.48 50.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.33 -18.72 61.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.285 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 89' ' ' LEU . 18.8 tt -70.28 -24.27 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.738 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.2 -20.37 51.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -71.26 -160.82 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.83 -10.2 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -82.14 9.25 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 56.7 t-105 -80.75 145.93 31.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 t -137.02 145.74 51.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.96 -3.76 8.91 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.355 2.037 . . . . 0.0 112.061 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.2 m -80.58 -46.36 15.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' 100' ' ' TYR . 96.9 m-85 -54.51 143.57 23.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -124.24 -171.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.329 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 62.5 t -56.79 -26.62 24.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.9 m -69.05 -32.36 71.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.4 m -73.19 -48.21 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.075 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -37.99 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.664 0.269 . . . . 0.0 111.515 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.488 HD12 ' HA3' ' A' ' 26' ' ' GLY . 96.9 mt -67.96 -52.01 40.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.6 p -60.96 -27.31 68.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.365 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.9 m -67.22 -48.49 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.6 -39.2 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.26 -46.32 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.5 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -68.77 -29.1 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.69 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.59 -36.86 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 35.4 t70 -57.12 -62.79 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.2 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 39.0 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.311 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.233 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -90.72 -28.03 18.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.428 ' HB2' HG11 ' A' ' 81' ' ' VAL . 9.4 t-20 -123.36 100.27 6.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.249 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.0 t -65.22 -31.23 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.003 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.54 -49.72 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 111.626 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.85 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.908 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.84 87.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.595 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.33 -45.65 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -26.93 68.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.599 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 82.8 t80 -53.19 -37.19 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -103.22 -31.49 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.212 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -69.27 -75.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.37 99.56 6.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -69.68 -28.89 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.97 -34.36 77.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.62 -27.53 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -71.88 -48.26 47.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.22 -34.08 74.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.443 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.7 -30.33 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -74.52 -45.13 47.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.98 -33.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.5 p -71.49 -30.67 66.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.38 14.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.4 pt -56.69 -32.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.423 HG11 ' HA3' ' A' ' 51' ' ' GLY . 52.5 t -79.06 -36.63 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.32 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.28 -44.42 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.25 -29.33 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.0 m -104.07 10.01 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.2 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.75 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.5 HG21 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -80.2 -31.24 1.78 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.435 2.09 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' HG21 ' A' ' 3' ' ' THR . . . -61.67 -33.84 74.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.37 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HG2' ' HE1' ' A' ' 10' ' ' MET . 37.1 ttm180 -73.1 -40.21 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.736 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -62.55 -40.09 95.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -62.66 -46.14 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.74 -33.73 64.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.443 ' HE1' ' HG2' ' A' ' 6' ' ' ARG . 67.6 mtt -62.01 -41.4 98.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.62 -29.41 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.22 -43.48 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -65.19 -36.33 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.334 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -66.62 -34.53 78.09 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -79.42 -30.06 42.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -62.2 -34.64 76.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.97 -34.97 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.36 -40.74 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.304 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -157.19 86.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' HD11 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -66.67 153.34 78.3 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.101 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.35 157.58 39.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.345 2.03 . . . . 0.0 112.229 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.57 143.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.548 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 70.71 -3.75 11.5 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.751 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -157.03 150.5 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -139.4 134.54 32.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.543 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -139.45 119.52 1.7 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.82 150.88 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.405 0.145 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.14 116.19 4.61 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 112.267 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -97.59 -86.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.86 -19.81 17.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -81.77 145.74 30.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.38 179.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -56.71 -22.24 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.769 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.2 mtp -61.03 -58.98 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -103.78 147.36 27.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.098 0.475 . . . . 0.0 111.26 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -122.23 148.81 44.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.655 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -100.82 107.52 19.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.24 148.39 45.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.87 126.29 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.65 135.15 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.317 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 42.9 m-85 -109.76 128.05 55.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.91 141.54 24.06 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.75 171.7 11.72 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.385 2.057 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.93 120.7 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.15 10.33 13.97 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.587 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.0 p -125.17 157.77 66.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.37 0.129 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HB2' HG12 ' A' ' 141' ' ' VAL . 38.2 Cg_endo -67.07 -1.84 6.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.226 1.951 . . . . 0.0 112.046 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 1.607 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 32.8 m-85 -101.98 -7.86 22.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.857 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.35 -34.27 73.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.07 -2.6 58.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.0 177.24 16.47 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.754 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -136.8 153.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.071 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.629 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 71.4 m-85 -137.97 153.91 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -127.95 151.71 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -156.08 153.92 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.65 147.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.337 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.4 mp -119.11 112.78 39.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -99.64 124.47 44.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.15 145.78 28.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -98.0 140.54 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.01 1.38 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.19 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.75 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.666 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 66.5 m-85 -148.68 152.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.703 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 15.5 Cg_exo -68.16 -8.36 22.57 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.7 2.267 . . . . 0.0 112.881 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -105.56 -5.01 20.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.68 149.86 90.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.847 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.18 111.54 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.624 2.216 . . . . 0.0 112.444 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.5 -176.72 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.422 2.081 . . . . 0.0 112.395 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -131.15 116.17 17.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.39 142.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.136 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -168.14 143.07 3.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 44.3 m-85 -71.78 120.99 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.56 -29.38 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.408 . . . . 0.0 110.265 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 p -84.5 169.61 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -78.39 122.58 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.61 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.53 163.7 32.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.474 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -142.08 114.47 8.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.429 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -124.26 156.64 66.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.28 -15.45 49.63 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.512 2.142 . . . . 0.0 112.302 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.554 HD21 ' HB3' ' A' ' 88' ' ' CYS . 2.0 p-10 -147.64 118.26 7.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.409 ' N ' ' HB1' ' A' ' 122' ' ' ALA . 12.2 p -154.97 150.42 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.667 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.14 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.71 -15.61 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.672 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.63 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 t -81.36 151.1 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.313 . . . . 0.0 110.793 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.65 133.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.554 ' HB3' HD21 ' A' ' 80' ' ' ASN . 54.1 t -78.19 106.59 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -148.39 141.36 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.604 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' H ' HD11 ' A' ' 89' ' ' LEU . 4.6 p-10 -72.07 -15.73 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.288 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 89' ' ' LEU . 19.7 tt -72.3 -30.72 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.8 mt -75.06 -7.15 52.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -80.78 -162.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -67.25 -4.91 11.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -78.94 -13.5 59.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.105 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 62.7 t-105 -58.95 143.45 48.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 m -134.45 147.26 62.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.06 -2.54 12.17 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.245 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -75.08 -37.55 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 1.598 ' HE2' ' CE1' ' A' ' 100' ' ' TYR . 99.1 m-85 -68.62 169.28 11.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.91 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -120.63 -174.15 2.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.32 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.08 -26.24 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.177 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -69.78 -32.2 70.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -63.97 -51.87 62.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.748 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -33.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.316 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.543 HD12 ' HA3' ' A' ' 26' ' ' GLY . 63.5 mt -67.36 -50.22 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.1 p -64.09 -27.46 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.7 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 p -62.5 -47.82 82.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.49 -39.19 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.548 HE22 ' HA3' ' A' ' 23' ' ' GLY . 53.6 tt0 -58.3 -40.0 80.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -71.67 -29.35 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.4 tm? -55.31 -34.31 64.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.583 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.58 -42.61 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.767 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.86 -33.62 73.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.045 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -179.804 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.505 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 56.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.807 0.253 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 81' ' ' VAL . . . -112.21 -25.55 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -116.77 105.3 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -66.78 -36.64 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.298 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 -47.27 84.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.45 54.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.28 75.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.44 -45.33 84.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.235 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.56 -27.2 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 1.65 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 80.8 t80 -66.14 -36.38 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.429 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -95.86 -11.69 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.174 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -96.7 -73.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.928 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -123.44 100.75 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.38 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -57.66 -42.56 83.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -35.21 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 1.586 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 54.0 t80 -67.43 -47.56 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.29 -30.57 70.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -76.17 -31.81 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 47' ' ' PRO . 59.8 t -71.66 -48.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.9 p -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.28 -55.66 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.712 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 47.3 pt -60.12 -32.36 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.767 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.8 t -71.56 -46.39 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.329 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.98 -32.6 73.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.317 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.75 -38.47 73.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.0 t -101.5 15.41 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.657 -179.824 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t -122.78 167.84 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.67 165.08 8.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.173 -179.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -80.0 -31.92 1.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.365 2.043 . . . . 0.0 111.857 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . . . -61.82 -33.97 75.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -68.85 -45.53 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.113 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.425 ' HD3' HH21 ' A' ' 11' ' ' ARG . 42.4 ttm180 -59.03 -42.27 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.039 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -58.95 -44.15 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HB2' HD12 ' A' ' 33' ' ' ILE . 90.8 mt -59.17 -29.95 67.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.55 -32.76 64.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 HH21 ' HD3' ' A' ' 7' ' ' ARG . 97.5 mtt180 -74.83 -28.37 60.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.745 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.02 -37.63 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.245 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.06 -53.09 62.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.247 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.08 -38.55 83.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.47 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tpp180 -66.73 -26.7 67.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -71.45 -35.51 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -69.8 -33.69 72.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -64.15 -39.17 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -162.3 84.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.61 155.65 44.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.585 2.19 . . . . 0.0 112.312 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.6 137.57 46.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.376 2.05 . . . . 0.0 112.182 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.41 132.76 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.63 -27.95 17.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.716 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.497 HG11 HE21 ' A' ' 110' ' ' GLN . 16.9 m -138.65 143.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 111.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.7 m -123.5 141.82 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -151.94 89.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.581 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.2 53.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.505 0.193 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.56 128.61 12.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.552 2.168 . . . . 0.0 112.28 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 t -96.76 -89.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.7 -36.02 9.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 35' ' ' GLN . 7.1 p30 -60.33 146.18 45.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.791 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.34 176.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.389 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 9' ' ' LEU . 18.8 tt -57.63 -22.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.391 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -63.63 -61.04 2.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . 35.1 tt0 -91.35 134.33 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -118.43 160.78 21.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -111.79 110.74 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.287 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.18 149.79 50.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 111.703 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.99 136.69 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 82.6 mt -121.7 129.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.089 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 92.1 m-85 -100.46 145.31 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.592 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.34 142.38 42.77 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.5 173.98 3.12 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.48 2.12 . . . . 0.0 112.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.59 129.83 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.26 26.44 23.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.5 p -135.25 158.49 74.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.396 0.141 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -66.73 -1.42 5.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.444 2.096 . . . . 0.0 112.249 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.613 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 20.9 m-85 -105.2 -9.91 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.65 -39.27 67.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.988 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.35 -21.61 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.88 169.23 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.987 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -132.85 137.1 46.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -133.01 133.51 43.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 54' ' ' LYS . 10.9 mptt -114.32 139.82 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.134 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.77 155.72 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.94 141.67 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.509 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.4 mp -112.33 109.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.587 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.5 123.78 33.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -100.71 163.86 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.9 p -127.78 151.99 48.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.64 9.48 9.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -60.63 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.59 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 99.0 m-85 -144.27 152.55 54.35 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.43 -12.64 34.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.599 2.199 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -117.42 4.8 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -74.44 130.88 81.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.02 109.15 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.478 2.118 . . . . 0.0 112.396 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.0 -172.0 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.424 2.083 . . . . 0.0 112.524 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.6 m -130.79 135.03 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG21 HG13 ' A' ' 57' ' ' ILE . 14.6 p -141.4 146.8 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -162.9 148.18 11.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.626 ' HD1' ' CD2' ' A' ' 72' ' ' PHE . 33.9 m-85 -75.21 139.76 42.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.74 -31.65 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.803 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 53.7 m -96.09 124.33 40.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.76 109.17 5.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.43 ' HB3' HD13 ' A' ' 144' ' ' ILE . 25.8 mmt -133.91 163.94 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.187 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -85.01 129.26 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 94.7 m-70 -135.67 157.46 76.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 30.8 Cg_endo -62.96 -28.54 75.14 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.616 2.211 . . . . 0.0 112.23 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -147.72 119.62 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -153.55 146.51 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -87.11 172.53 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.69 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -88.46 -11.2 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.74 -0.29 60.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 m -66.6 167.02 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.781 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.1 mp -105.34 143.52 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.26 153.95 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -63.15 -22.95 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.6 mt -71.69 -33.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HB3' HE22 ' A' ' 93' ' ' GLN . 56.6 tp -59.06 -25.39 63.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.431 HE22 ' HB3' ' A' ' 92' ' ' LEU . 2.2 mp0 -82.98 -169.26 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.18 -0.21 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -72.3 -11.44 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.058 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -61.23 127.24 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 m -99.0 138.43 20.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.42 2.6 7.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.437 2.091 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.7 m -81.55 -39.98 23.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.668 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 87.0 m-85 -75.92 174.2 10.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.06 -175.74 2.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.208 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.14 -27.77 42.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -56.23 -32.67 64.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -61.22 -35.4 77.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -32.44 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.723 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.492 HD12 ' HA3' ' A' ' 26' ' ' GLY . 96.5 mt -70.33 -43.98 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.7 p -73.9 -27.28 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -60.5 -47.46 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.9 mt -72.52 -34.77 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.497 HE21 HG11 ' A' ' 24' ' ' VAL . 33.0 tt0 -57.88 -43.99 86.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -70.24 -29.64 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.1 tm? -58.21 -38.54 76.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.145 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.76 -43.2 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.9 -53.66 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.43 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -154.74 112.59 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.153 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.32 177.68 7.58 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.308 2.005 . . . . 0.0 112.281 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.497 HD21 ' H ' ' A' ' 119' ' ' ASN . 0.2 OUTLIER -104.35 109.86 63.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.83 -7.41 11.21 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.4 2.067 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.497 ' H ' HD21 ' A' ' 117' ' ' ASN . 7.1 t30 -74.58 101.14 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t 56.7 75.07 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -78.86 149.57 23.14 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.349 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.19 -41.8 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.621 HD21 ' H ' ' A' ' 126' ' ' ALA . 4.6 t30 -112.06 93.3 4.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -64.55 -27.4 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.783 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.61 -48.2 82.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.245 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.621 ' H ' HD21 ' A' ' 123' ' ' ASN . . . -72.92 -46.99 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.27 64.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.263 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.96 -50.57 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.33 -27.01 61.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -61.66 -34.7 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -104.01 -11.49 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.69 -73.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -121.49 106.17 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.4 -27.47 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.794 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -29.72 67.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -81.42 -28.94 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.591 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 92.7 t80 -78.9 -45.64 20.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.404 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.18 -40.11 76.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.273 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.43 -32.37 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.66 -30.56 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.83 -54.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.507 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.0 m -62.65 -30.38 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.06 -53.55 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.574 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 76' ' ' MET . 45.3 pt -64.19 -35.46 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.621 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.59 -38.93 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -36.16 72.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.41 -40.16 95.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.433 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.4 t -105.38 16.6 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.127 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -80.8 -42.1 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -137.77 122.61 18.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.31 -24.92 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.929 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m 59.65 103.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p -142.15 154.96 65.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.382 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.57 -31.48 60.09 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.75 2.3 . . . . 0.0 112.544 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 61' ' ' GLU . . . -71.64 -43.87 65.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.4 -30.04 70.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -70.57 -35.96 73.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -71.0 -30.76 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.15 -43.54 98.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.358 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 70.4 mtm -57.92 -31.9 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.719 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' HD2' ' HE3' ' A' ' 14' ' ' LYS . 20.0 mmm180 -72.57 -33.26 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.2 -35.59 78.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.622 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 14.9 t80 -60.59 -50.13 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.528 ' HE3' ' HD2' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -63.6 -37.61 87.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.194 0.521 . . . . 0.0 109.978 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -63.8 -27.69 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -75.66 -51.36 12.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.631 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -61.07 -28.23 68.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.802 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.27 -22.89 35.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -165.7 81.42 1.12 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.45 151.42 15.32 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.693 2.262 . . . . 0.0 112.128 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.7 133.06 21.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.29 1.993 . . . . 0.0 112.017 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 135.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 111.261 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.97 -18.62 56.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 106' ' ' LEU . 16.6 m -144.85 164.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.806 0.336 . . . . 0.0 111.303 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -144.22 151.14 39.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.86 88.23 0.11 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.689 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.86 154.22 70.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.11 106.9 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -86.26 -83.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -105.42 -21.39 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -76.19 145.63 39.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -63.31 -172.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.48 -28.65 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.23 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.525 ' HG3' ' H ' ' A' ' 35' ' ' GLN . 6.2 ptt? -62.15 -62.95 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' H ' ' HG3' ' A' ' 34' ' ' MET . 6.4 mp0 -95.05 143.03 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -123.28 147.43 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.626 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -100.43 114.4 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.89 149.18 51.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.318 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.3 t -133.47 132.48 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -117.58 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -100.61 140.71 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.24 142.35 42.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.34 160.56 30.71 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.471 2.114 . . . . 0.0 112.006 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.6 116.23 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.02 6.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 70.0 p -135.56 159.49 71.32 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.313 0.102 . . . . 0.0 110.937 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 36.2 Cg_endo -65.45 0.09 3.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.266 1.977 . . . . 0.0 112.388 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.633 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 46.3 m-85 -103.35 -13.85 16.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -28.2 64.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.923 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.09 -23.34 28.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.1 172.57 28.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.753 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -137.01 116.41 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.644 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 61.5 m-85 -101.05 159.91 14.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 111.415 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -139.72 150.72 45.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.625 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -154.74 159.48 40.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.187 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -116.9 149.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.9 mp -122.92 110.22 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.742 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.82 123.87 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 96.1 m-85 -103.17 152.85 20.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.5 p -115.39 149.05 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' HA ' ' HB1' ' A' ' 5' ' ' ALA . 12.2 pt-20 -83.08 10.2 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.35 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.1 m-85 -142.84 154.52 62.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 4.4 2.63 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.392 2.061 . . . . 0.0 112.511 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -131.76 1.17 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.5 tmtt? -65.25 136.67 96.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 85.8 Cg_exo -46.06 119.04 2.69 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.455 2.103 . . . . 0.0 112.608 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.56 -177.27 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.431 2.088 . . . . 0.0 112.7 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -131.13 114.95 15.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG22 HG12 ' A' ' 105' ' ' ILE . 67.3 t -134.01 139.91 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.406 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -171.31 138.28 1.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.32 125.94 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.82 -31.16 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.575 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -94.73 156.04 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.694 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.83 126.29 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.17 164.33 30.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.17 126.52 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -138.36 155.38 73.99 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.53 -16.57 36.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.441 2.094 . . . . 0.0 112.177 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.563 HD21 ' HB3' ' A' ' 88' ' ' CYS . 2.7 p-10 -145.85 119.03 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -154.41 152.04 10.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -95.07 178.64 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.807 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.96 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.17 -15.06 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.45 64.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -60.98 156.4 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.612 0.244 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.48 134.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.563 ' HB3' HD21 ' A' ' 80' ' ' ASN . 47.2 t -81.98 94.53 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 158.12 44.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.99 -38.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.01 -2.88 11.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -100.89 -162.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.774 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.14 -1.2 22.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -78.77 -7.43 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -61.28 137.18 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 49.6 m -116.44 130.51 24.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 23.1 Cg_exo -65.1 -9.36 21.45 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.1 m -72.82 -42.41 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.234 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -66.2 173.0 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -124.63 -171.57 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.357 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.76 -22.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.443 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -67.71 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.034 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -55.01 -52.43 63.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.517 HG12 HG22 ' A' ' 70' ' ' VAL . 3.2 tp -59.46 -42.12 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.42 ' HB3' HG22 ' A' ' 24' ' ' VAL . 4.5 mm? -60.01 -47.65 84.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.742 0.306 . . . . 0.0 111.172 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.1 p -70.2 -27.25 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.408 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -67.19 -45.7 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.136 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.5 mt -72.98 -36.26 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.04 -43.95 98.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -67.81 -28.84 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 116' ' ' PRO . 1.4 tm? -60.24 -31.91 70.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.026 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.97 -46.28 68.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.787 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.432 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 23.4 t70 -63.37 -68.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.072 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.432 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 43.0 mt-10 -135.7 96.84 13.11 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.528 ' HA ' HD23 ' A' ' 112' ' ' LEU . 40.6 Cg_endo -67.33 171.63 11.35 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.452 2.101 . . . . 0.0 112.315 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.52 HD21 ' HD2' ' A' ' 118' ' ' PRO . 2.5 t-20 -112.27 115.6 49.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.52 ' HD2' HD21 ' A' ' 117' ' ' ASN . 72.6 Cg_endo -76.9 26.36 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.535 2.156 . . . . 0.0 112.794 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -60.55 -43.19 97.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.2 m -146.02 100.93 4.2 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.06 121.92 7.98 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.365 2.044 . . . . 0.0 112.531 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.08 -40.72 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.14 96.8 5.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -26.67 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.26 -48.5 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.13 -54.03 44.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.77 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.878 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.04 -40.85 82.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.23 -26.82 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.623 ' HD1' ' CD2' ' A' ' 130' ' ' TYR . 87.0 t80 -61.08 -36.65 80.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.283 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.17 -18.83 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.326 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.14 -78.68 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -115.95 94.32 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.49 -24.2 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.26 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.93 -28.34 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.638 ' HD1' ' CD2' ' A' ' 137' ' ' TYR . 82.1 t80 -76.31 -44.48 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.97 -40.54 98.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.286 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -64.81 -31.63 72.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -69.78 -37.32 76.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -62.62 -30.36 71.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.36 -56.28 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.468 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.0 pt -61.26 -33.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.433 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 52.7 t -74.25 -38.0 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.06 -39.18 83.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.134 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.96 -32.5 72.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.4 t -104.64 16.4 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.16 108.87 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.833 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -80.74 109.1 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -136.88 122.91 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.858 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -147.75 152.89 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -165.23 164.74 12.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.043 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -80.9 -30.85 1.57 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.427 2.085 . . . . 0.0 112.119 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.494 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.65 -33.68 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HG3' HG22 ' A' ' 33' ' ' ILE . 72.3 ttt180 -70.4 -43.41 70.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.731 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -58.53 -44.64 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.218 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -59.36 -40.47 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.38 -36.77 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 59.3 mtt -58.54 -34.54 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -74.94 -28.84 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.33 -39.99 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.98 -45.94 79.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -54.4 -38.41 66.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.021 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -79.1 -25.37 43.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -46.71 63.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.49 -34.57 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.404 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.43 -34.1 48.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -150.23 81.6 6.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.62 156.13 66.56 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.284 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.8 154.18 62.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.507 2.138 . . . . 0.0 112.179 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.71 121.24 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.98 -36.8 3.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.127 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.51 145.62 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.804 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m -132.06 133.56 44.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.03 124.2 2.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.91 151.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.434 0.159 . . . . 0.0 111.006 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.6 124.44 10.74 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.407 2.071 . . . . 0.0 112.12 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.7 p -65.42 -70.34 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -173.45 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -65.98 99.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 56.12 -167.97 0.1 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.496 HG22 ' HG3' ' A' ' 6' ' ' ARG . 20.2 tt -114.2 -7.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -80.81 -40.13 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.89 111.72 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -117.79 134.85 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -100.57 117.02 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.27 150.25 42.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -117.39 112.57 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -104.66 134.73 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -109.37 141.61 41.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 143.56 48.64 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.413 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.07 178.02 2.7 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.235 1.957 . . . . 0.0 112.216 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.83 132.1 34.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.45 24.19 26.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.268 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 48' ' ' PHE . 41.1 p -131.27 157.43 78.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.407 0.146 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.41 5.39 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.315 2.01 . . . . 0.0 112.455 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 46' ' ' THR . 37.0 m-85 -111.6 -10.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.98 -26.59 60.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.474 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.02 -44.48 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.539 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.96 178.24 45.03 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.135 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.4 p -131.67 162.31 30.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 110.733 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -140.65 153.97 46.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.32 127.77 40.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -132.15 164.31 26.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.89 138.61 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.2 mp -111.71 109.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.24 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.36 149.56 44.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.2 m -95.96 133.86 39.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.08 -5.63 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.616 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 97.9 m-85 -145.09 151.3 48.19 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.51 0.77 6.39 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.405 2.07 . . . . 0.0 112.246 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -99.13 -32.7 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HE2' ' HD2' ' A' ' 67' ' ' PRO . 14.2 mmmm -56.63 153.12 22.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.523 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 57.7 Cg_endo -70.26 124.33 10.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.63 2.22 . . . . 0.0 112.423 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.79 169.81 21.02 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.429 2.086 . . . . 0.0 112.203 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.0 m -117.46 112.06 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.14 137.91 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -156.4 147.65 22.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.593 ' HE2' ' CE1' ' A' ' 72' ' ' PHE . 46.7 m-85 -68.63 144.02 54.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.09 -43.0 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.5 t -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.81 161.91 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 59.6 t80 -150.58 112.37 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.703 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 69.7 m80 -125.18 158.13 64.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 19.6 Cg_endo -58.06 -21.04 48.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.541 2.161 . . . . 0.0 112.284 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -145.98 118.6 8.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.2 p -154.62 152.72 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.632 ' HE2' ' CE1' ' A' ' 82' ' ' TYR . 93.2 m-85 -78.72 158.1 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.37 -19.83 65.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.307 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.73 -1.57 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.86 -8.43 73.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -58.64 150.22 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.794 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.2 mt -84.68 130.93 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.4 t -88.13 100.39 12.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD11 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -126.56 145.4 50.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' H ' HD11 ' A' ' 89' ' ' LEU . 11.5 m-20 -72.28 -21.28 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.469 ' H ' HD13 ' A' ' 89' ' ' LEU . 19.9 tt -69.86 -27.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.27 -14.54 59.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.4 -159.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -66.26 -7.08 16.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -75.36 -14.13 60.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -60.6 146.58 44.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.424 ' HB3' ' HD1' ' A' ' 100' ' ' TYR . 24.0 t -142.84 146.64 38.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.629 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.33 -9.04 13.93 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.409 2.073 . . . . 0.0 112.077 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -77.91 -50.75 11.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.306 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' HD1' ' HB3' ' A' ' 97' ' ' SER . 53.3 m-85 -55.06 141.27 35.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -114.29 -172.09 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.65 -28.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.272 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.7 t -68.66 -33.8 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.9 m -72.96 -51.8 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -31.92 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 106' ' ' LEU . 7.2 tp -69.4 -41.91 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 111.184 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.6 p -73.77 -27.2 61.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.28 -39.99 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -65.82 -34.51 78.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 m -71.13 -29.23 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.644 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.47 -27.62 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.596 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.48 -43.31 49.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.13 -53.75 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.858 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.19 108.81 3.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.74 -175.16 0.85 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.163 1.909 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.88 152.04 65.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.02 -8.36 15.45 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.695 2.264 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.58 177.73 7.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.144 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.1 t -66.16 126.31 91.73 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.817 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.18 169.38 22.59 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.326 2.017 . . . . 0.0 112.53 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.38 -30.63 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -97.18 85.25 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.394 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -30.13 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.581 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.5 -33.25 75.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.69 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.01 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.416 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.33 -44.64 82.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.11 -32.93 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.326 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.606 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 78.3 t80 -60.81 -28.18 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.629 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -99.04 -35.79 9.92 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.04 -81.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -104.48 99.58 9.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.55 -24.54 63.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -62.79 -30.82 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -78.11 -27.72 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.659 ' HE1' ' CE2' ' A' ' 137' ' ' TYR . 50.9 t80 -76.51 -45.48 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.37 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -67.77 -32.12 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -75.99 -52.9 9.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.41 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.31 -35.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -70.65 -33.73 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -56.28 9.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.2 pt -57.2 -36.05 50.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.75 -40.71 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 43.3 mt-10 -67.88 -36.08 79.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.08 -36.75 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.006 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.2 t -104.09 12.98 33.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . 0.492 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER -82.26 2.05 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 151' ' ' ASP . 3.5 t-20 -62.77 157.49 21.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.46 ' H ' ' ND2' ' A' ' 150' ' ' ASN . 7.2 m-20 -90.04 124.33 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.853 179.861 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -139.52 157.69 45.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -170.17 164.71 5.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -81.09 -31.47 1.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.522 2.148 . . . . 0.0 111.957 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.73 -33.83 75.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -64.56 -52.92 55.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -61.06 -31.07 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -62.42 -47.72 82.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.76 -30.23 67.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.8 mtt -70.59 -29.73 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.24 -30.88 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.027 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.13 -33.87 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -76.93 -46.09 25.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -53.47 -40.75 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.588 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.45 -26.24 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.313 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.5 ' HG ' ' HD3' ' A' ' 21' ' ' PRO . 7.7 tt -73.47 -31.37 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.753 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.41 -42.39 79.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.58 -21.13 60.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.138 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -156.57 86.57 2.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.22 147.36 72.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 0.0 112.16 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD3' ' HG ' ' A' ' 16' ' ' LEU . 23.7 Cg_exo -63.95 153.73 74.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.346 2.03 . . . . 0.0 112.024 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.72 124.24 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.51 -31.01 6.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.757 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.67 147.83 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 111.348 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m -137.36 133.28 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.79 124.49 3.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.632 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.2 17.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.369 0.128 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.34 99.86 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.285 1.99 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -108.63 136.58 47.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 62.86 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.16 146.15 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.859 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -59.27 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.066 0.46 . . . . 0.0 111.454 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.76 -19.46 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.56 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mtp -57.87 -66.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -93.06 135.52 34.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.011 0.434 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -113.9 133.23 55.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.92 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -100.63 114.81 28.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.46 150.47 43.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -122.62 122.13 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.27 133.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.47 132.91 51.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 147.78 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.548 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HD3' HD13 ' A' ' 113' ' ' LEU . 55.2 Cg_endo -69.63 -171.73 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.93 162.74 15.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 111.274 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.3 30.75 64.92 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.722 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.9 p -135.81 153.27 77.11 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.441 0.163 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 -2.56 8.89 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.592 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 34.2 m-85 -101.4 -10.03 20.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.17 -29.59 67.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.106 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -85.33 -28.0 25.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.43 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' HA2' ' HE1' ' A' ' 149' ' ' TRP . . . -100.64 174.66 25.96 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.87 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -134.35 149.4 50.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 66.4 m-85 -130.2 123.2 29.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.8 mppt? -98.46 147.58 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.642 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.54 160.16 43.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.26 138.56 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.368 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.09 109.79 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.96 125.48 35.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.66 147.12 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -117.07 123.78 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.669 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.38 88.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -134.93 -79.35 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.625 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 98.9 m-85 -144.76 157.67 54.54 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.21 4.51 2.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.397 2.065 . . . . 0.0 112.425 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -127.13 -3.71 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.62 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.54 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.9 tptp -65.29 129.76 94.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.54 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -60.1 113.3 1.6 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.457 2.104 . . . . 0.0 112.389 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.01 179.57 2.23 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.586 2.19 . . . . 0.0 112.403 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -130.04 118.53 21.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.58 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.08 147.41 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.502 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -161.14 147.04 14.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -70.49 151.61 44.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.65 -39.56 15.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -92.66 163.99 13.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.46 ' HE2' HE22 ' A' ' 147' ' ' GLN . 8.5 ttpt -72.33 117.64 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.3 162.85 18.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.662 ' HE2' ' CE1' ' A' ' 77' ' ' PHE . 81.5 t80 -139.49 109.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.735 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -127.75 158.76 69.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.74 -17.51 36.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.668 2.246 . . . . 0.0 112.777 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -144.97 119.99 10.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.251 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.53 151.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -86.95 171.46 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 3.38 47.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.723 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.71 4.24 89.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.415 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -64.86 169.6 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.351 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.8 mp -100.19 143.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -90.39 104.87 17.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -135.54 141.86 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' H ' HD11 ' A' ' 89' ' ' LEU . 16.2 m-20 -75.31 -12.08 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.274 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.2 -33.25 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.796 0.332 . . . . 0.0 110.703 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.78 -18.4 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -73.08 -162.54 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -68.15 -4.49 13.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -77.33 -0.68 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -78.41 144.17 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.5 m -133.87 145.89 57.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.57 -6.17 17.85 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 112.776 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 t -79.23 -26.15 42.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.602 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -78.89 174.02 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.11 -176.71 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.91 -23.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -65.83 -32.43 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.1 t -65.97 -51.26 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.78 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.23 -44.24 97.58 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.5 p -74.5 -29.32 61.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.1 m -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.954 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.81 -34.89 70.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -61.22 -33.52 73.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -69.78 -29.31 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 116' ' ' PRO . 22.7 tp -59.42 -33.65 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD13 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -64.87 -42.84 94.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.98 -52.83 62.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.856 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -159.54 114.17 1.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.432 ' HA ' HD13 ' A' ' 112' ' ' LEU . 52.9 Cg_endo -69.52 -174.14 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.274 1.983 . . . . 0.0 112.099 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -106.06 105.91 55.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.77 23.74 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.568 2.179 . . . . 0.0 112.934 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -89.49 -58.44 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.2 p -121.1 82.98 37.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.0 138.75 84.06 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.524 2.149 . . . . 0.0 112.11 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.82 -30.48 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -121.86 102.12 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.5 p -65.18 -28.7 69.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -71.12 -53.39 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.26 71.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.23 -50.03 73.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.026 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.42 -27.22 67.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -70.48 -28.63 65.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -103.88 -11.3 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.326 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -102.39 -83.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.545 ' N ' HD21 ' A' ' 133' ' ' ASN . 0.8 OUTLIER -104.22 100.79 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.69 -29.6 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -63.49 -29.54 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.6 -30.49 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -72.96 -44.71 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.2 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.79 -41.14 97.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -63.36 -37.14 86.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -64.63 -31.87 73.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.406 . . . . 0.0 110.385 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.3 -42.73 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.769 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.4 m -66.47 -30.34 70.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.58 -55.89 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.481 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.61 -32.04 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.865 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.3 t -76.53 -39.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -67.43 -38.95 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.46 HE22 ' HE2' ' A' ' 75' ' ' LYS . 25.6 mt-30 -66.8 -25.28 66.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.5 m -94.06 1.52 56.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . 0.432 ' HE1' ' HA2' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -92.35 -179.19 5.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.064 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.93 90.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.83 -10.63 1.02 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.128 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.9 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.711 0.291 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -87.25 158.45 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -119.87 156.49 54.12 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.27 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.69 -32.03 92.69 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.09 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.61 -31.72 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -77.46 -34.28 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.115 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.43 -34.07 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -69.72 -49.23 55.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -65.23 -28.38 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.86 -52.82 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.617 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 28.9 t80 -65.04 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.707 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.04 -45.05 91.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -79.03 -25.9 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.21 -36.12 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.82 -36.43 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.197 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.26 -36.9 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -164.2 85.18 1.21 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.87 153.83 58.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.33 2.02 . . . . 0.0 112.202 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.48 147.05 80.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.148 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.98 140.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 -2.89 79.29 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.881 -0.675 . . . . 0.0 112.385 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -160.6 141.88 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 110.817 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -129.14 147.68 51.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.167 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.69 93.6 0.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.325 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.72 154.5 51.98 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.558 0.218 . . . . 0.0 111.259 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 124.3 8.14 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.177 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -88.24 -81.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.0 -30.55 5.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.758 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -57.42 146.26 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -51.34 164.97 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -53.22 -28.88 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.499 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.0 ptp -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -115.85 124.94 51.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.415 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -113.81 157.46 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.9 111.5 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.73 149.34 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.47 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.04 125.05 54.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.678 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.43 135.69 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.637 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 45.4 m-85 -111.3 128.36 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.554 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.72 145.87 23.23 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.751 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.54 165.44 32.48 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.359 2.039 . . . . 0.0 112.028 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.24 117.74 14.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 28.6 3.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -140.54 158.51 65.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.392 0.139 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.27 -4.67 12.17 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.42 2.08 . . . . 0.0 112.147 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -105.3 -6.49 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.9 -33.47 64.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.15 -38.83 18.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.12 172.03 53.88 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.996 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -132.11 148.88 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.703 0.287 . . . . 0.0 110.79 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.598 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 78.1 m-85 -136.13 148.53 48.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.895 0.379 . . . . 0.0 111.252 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -126.71 142.46 51.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.0 164.29 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.27 141.67 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.0 mp -124.84 109.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.94 127.08 52.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.67 ' HE1' ' CE2' ' A' ' 59' ' ' PHE . 67.5 m-85 -104.02 148.31 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.3 t -97.27 152.31 19.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.7 -3.44 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 89.2 m-85 -147.83 146.0 22.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.44 -12.79 29.37 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.417 2.078 . . . . 0.0 112.272 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.459 ' HA ' ' HE1' ' A' ' 96' ' ' TRP . 6.4 t30 -89.44 -22.68 22.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 14.7 mmmm -58.64 152.49 46.21 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.937 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.98 121.08 8.08 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.367 2.045 . . . . 0.0 112.036 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.72 -174.57 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.367 2.045 . . . . 0.0 112.577 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.9 m -131.54 112.74 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.263 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 109' ' ' ILE . 99.8 t -128.44 137.94 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 111.439 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -167.19 128.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.575 ' HD1' ' CD2' ' A' ' 72' ' ' PHE . 9.6 m-85 -60.11 126.41 27.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.28 -38.28 83.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.9 m -92.28 177.92 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -81.97 151.99 26.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.652 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -158.9 164.01 36.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.109 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 86.7 t80 -136.06 108.0 7.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.478 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -123.97 158.66 59.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.3 -18.03 35.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.581 2.187 . . . . 0.0 112.816 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -151.62 119.11 6.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.5 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -154.45 144.1 13.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.642 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.652 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 56.1 m-85 -78.13 166.04 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.294 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.77 81.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.355 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.63 -2.58 36.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.31 -6.01 78.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 149.58 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.499 HD13 ' H ' ' A' ' 87' ' ' ILE . 3.9 mp -91.81 144.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.29 112.95 23.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -120.1 160.72 22.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.02 -16.56 22.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.123 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.39 -34.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.17 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.88 -10.21 8.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -77.29 -164.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.793 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -63.11 -12.76 29.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -75.11 -3.34 32.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.459 ' HE1' ' HA ' ' A' ' 65' ' ' ASN . 46.4 t-105 -70.74 147.08 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.3 m -144.01 144.12 25.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.512 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.14 -7.69 12.46 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.454 2.103 . . . . 0.0 112.377 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.9 m -76.48 -43.57 39.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.618 ' HE1' ' CE2' ' A' ' 100' ' ' TYR . 91.1 m-85 -55.74 135.5 51.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.071 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.98 -174.21 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.89 -22.17 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.056 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.748 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.9 t -60.65 -52.08 66.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 109' ' ' ILE . 2.9 tp -60.88 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.662 0.268 . . . . 0.0 111.506 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.45 -43.97 95.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.741 0.305 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.1 p -74.46 -27.82 60.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.57 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.0 m -68.55 -48.28 64.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.457 HD12 HG12 ' A' ' 70' ' ' VAL . 77.1 mt -62.94 -39.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.759 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.61 -31.45 72.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.2 m -71.54 -29.34 64.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.809 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.9 -32.19 65.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.0 -43.28 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.244 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -118.08 94.8 47.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.377 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.49 -14.81 5.2 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.7 2.267 . . . . 0.0 112.891 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -127.81 103.91 21.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.23 22.13 0.95 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.6 2.2 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 61.52 11.65 3.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.2 m -154.27 75.08 5.99 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.81 145.78 29.13 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.554 2.169 . . . . 0.0 112.585 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.78 -25.38 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -115.74 99.42 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.684 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m -64.39 -35.64 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -66.8 -49.16 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.4 -49.36 67.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.37 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.596 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -56.7 -42.96 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.443 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -27.21 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.5 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -69.42 -32.91 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.566 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.63 -7.8 30.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.462 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.46 -80.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -109.44 105.94 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.321 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -73.3 -29.56 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -65.49 -30.13 70.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.27 -35.58 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.47 -39.85 77.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.009 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.17 -34.92 71.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.93 -31.06 61.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -75.68 -43.85 45.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.38 -35.11 71.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.042 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -30.34 66.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.745 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.71 -51.45 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 77' ' ' PHE . 43.6 pt -59.77 -31.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 53.7 t -77.05 -39.38 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.02 -40.62 96.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.13 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -103.87 13.98 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -87.17 102.37 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.814 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -145.28 125.02 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.963 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.798 0.333 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -94.51 123.41 37.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -106.08 156.34 36.93 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.13 -26.82 57.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.542 2.162 . . . . 0.0 112.142 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.2 -43.62 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' NE ' HG22 ' A' ' 33' ' ' ILE . 79.0 ttt180 -72.3 -27.61 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.576 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.52 -41.87 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -65.56 -38.35 89.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 6' ' ' ARG . 68.1 mt -55.1 -31.31 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.9 mtp -66.63 -52.91 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -58.49 -29.86 66.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -73.23 -32.53 64.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.214 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.599 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 15.0 t80 -65.05 -56.79 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.252 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -58.99 -33.09 70.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.008 0.433 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -63.08 -36.04 82.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -75.31 -33.39 61.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.002 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.13 -16.24 59.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -83.96 -42.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -151.13 85.32 5.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.35 145.34 88.13 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.501 2.134 . . . . 0.0 112.234 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.46 141.82 97.48 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.668 2.245 . . . . 0.0 112.404 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.3 t -82.81 119.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.804 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.48 -24.34 31.25 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.409 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 m -142.22 146.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 m -135.14 135.02 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.57 103.54 0.34 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.03 151.27 29.36 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 132.36 22.94 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.429 2.086 . . . . 0.0 112.266 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.7 p -94.56 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -133.24 -35.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -57.63 146.56 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.008 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -48.68 161.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.217 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 HG22 ' NE ' ' A' ' 6' ' ' ARG . 20.3 tt -53.3 -24.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 0.0 110.954 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.461 HE21 HG22 ' A' ' 56' ' ' VAL . 39.5 tt0 -114.47 132.04 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -115.59 179.74 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -135.93 109.46 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.11 149.2 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 111.606 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.61 128.13 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.558 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -112.18 127.24 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.421 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 29.7 m-85 -95.91 133.93 39.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.17 138.86 44.81 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.605 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.93 169.77 15.63 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.447 2.098 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.01 140.15 36.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.68 18.25 56.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.599 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -131.49 154.41 81.87 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.19 -5.63 14.2 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.456 2.104 . . . . 0.0 112.206 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.93 -5.06 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.52 -32.75 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.376 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.53 -45.07 12.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.49 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.71 119.79 5.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.696 . . . . 0.0 113.085 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -85.98 157.29 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.587 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 64.4 m-85 -127.02 143.95 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -111.99 143.62 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.92 157.03 42.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG22 HE21 ' A' ' 35' ' ' GLN . 5.8 p -117.05 140.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.497 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.3 mp -108.96 109.79 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -87.84 134.33 33.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.9 162.34 17.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.6 p -132.43 154.58 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.81 14.75 6.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.18 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.63 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 93.0 m-85 -142.91 152.94 60.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -17.29 59.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.562 2.175 . . . . 0.0 112.27 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.67 -18.31 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.536 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.1 tptp -55.08 123.21 46.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.536 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 10.6 Cg_endo -54.53 117.17 3.66 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.466 2.111 . . . . 0.0 112.161 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.53 -174.23 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.513 2.142 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -129.58 136.13 49.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG21 HG13 ' A' ' 57' ' ' ILE . 13.9 p -142.82 143.0 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.345 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -159.52 155.59 26.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.226 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -80.46 139.51 36.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.984 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.9 -26.05 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.141 0.496 . . . . 0.0 110.151 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -98.94 -169.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.734 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -92.85 133.93 35.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.625 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.55 153.66 41.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.617 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 67.2 t80 -131.8 113.03 13.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 78.3 m80 -129.54 158.6 72.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 26.9 Cg_endo -62.3 -9.02 13.81 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.576 2.184 . . . . 0.0 112.619 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.469 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 22.4 p-10 -151.66 119.29 6.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 111.41 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.15 152.09 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.757 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.623 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 77.3 m-85 -91.39 169.37 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.68 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.99 -10.99 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.94 62.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.9 m -74.21 169.34 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 87' ' ' ILE . 3.2 mp -106.27 146.26 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.9 t -88.5 103.24 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.32 121.66 45.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -64.59 -22.83 67.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.6 tt -73.26 -37.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -12.95 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.202 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -71.45 -161.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -2.17 4.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.078 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.27 -4.39 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -66.72 146.22 54.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -139.66 148.21 54.94 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.721 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.52 -2.08 11.24 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.389 2.06 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.4 p -78.01 -31.67 50.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -73.4 -175.87 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.63 -178.51 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.61 -22.35 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.826 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -68.32 -32.11 72.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.5 m -67.76 -51.36 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.496 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -59.48 -32.9 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.968 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -44.92 78.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.7 p -70.31 -27.38 64.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.4 t -61.74 -44.08 97.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.956 0.408 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.6 mt -71.02 -34.99 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.19 -44.15 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -65.48 -29.23 69.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.72 -26.25 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.51 -42.75 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -158.75 113.13 1.64 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.56 -162.27 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.396 2.064 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -125.97 135.35 26.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.795 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.44 25.14 0.69 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.712 2.275 . . . . 0.0 112.729 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.5 -72.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.173 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -157.26 97.92 2.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.122 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.23 135.43 40.04 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.483 2.122 . . . . 0.0 112.205 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.88 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.469 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 36.7 t-20 -90.87 102.73 15.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.2 p -70.82 -28.02 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.482 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.48 -47.64 63.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.87 86.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.38 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.74 74.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.035 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.401 ' HA ' HE21 ' A' ' 131' ' ' GLN . 35.3 tt0 -68.22 -33.49 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.93 -27.64 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -65.75 -33.71 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.36 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.401 HE21 ' HA ' ' A' ' 128' ' ' GLN . 27.2 pt20 -94.78 -23.93 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.505 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -90.16 -84.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.178 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.52 ' N ' HD21 ' A' ' 133' ' ' ASN . 0.9 OUTLIER -105.81 96.36 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -72.02 -21.39 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -70.71 -30.88 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.16 -27.38 53.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -75.88 -50.75 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.309 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.76 -40.94 80.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.23 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.74 -31.23 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -67.94 -36.16 79.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.86 -42.09 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 t -67.69 -30.3 69.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.53 -57.18 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.45 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.4 pt -57.58 -33.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.63 -37.43 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.972 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -37.38 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -64.4 -32.13 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.6 t -105.34 10.68 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -88.34 -15.48 35.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -139.24 108.43 6.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.27 142.21 27.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.899 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.756 0.313 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -143.89 127.5 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -141.49 155.05 67.35 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.04 -36.05 84.15 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.444 2.096 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.4 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -67.82 -39.36 83.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.88 -32.13 73.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -62.84 -47.58 82.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.15 -31.03 51.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.63 -44.97 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -74.9 -28.21 60.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.23 -46.78 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.69 -42.84 85.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -55.04 -34.24 63.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.289 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.38 -25.82 42.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.02 -47.0 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.52 -27.34 62.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.65 -44.6 73.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.775 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -160.0 87.43 1.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 157.72 59.25 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.415 2.077 . . . . 0.0 112.04 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HB2' HG11 ' A' ' 24' ' ' VAL . 36.6 Cg_exo -60.5 152.57 67.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.384 2.056 . . . . 0.0 111.942 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.11 138.63 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.68 -2.78 66.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.641 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 21' ' ' PRO . 7.4 p -161.56 142.84 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.0 t -137.41 148.38 46.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.17 99.51 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.581 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.78 156.09 38.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 122.886 -0.184 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.2 122.29 8.25 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.292 1.995 . . . . 0.0 112.314 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 t -70.9 -77.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.35 -29.89 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -62.65 147.22 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.8 OUTLIER -48.84 168.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.285 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -55.62 -16.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.622 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.55 -60.37 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.037 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.59 HE22 ' HB2' ' A' ' 58' ' ' GLU . 6.4 tp60 -99.07 137.09 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.52 164.94 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -127.32 107.97 10.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.652 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.87 148.22 41.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.448 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -126.7 113.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.524 HD13 HD13 ' A' ' 55' ' ' LEU . 57.4 mt -104.85 133.88 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.651 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 34.5 m-85 -105.91 134.65 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.73 144.5 34.28 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.576 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.24 -174.69 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -87.14 161.18 18.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.73 28.04 69.34 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.597 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.4 p -134.54 156.02 79.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.445 0.164 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 1.99 3.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.339 2.026 . . . . 0.0 112.013 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.6 ' HD2' ' CD1' ' A' ' 48' ' ' PHE . 19.0 m-85 -108.82 -5.43 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.655 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.88 -34.32 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.77 -46.33 11.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 163.87 54.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.687 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -131.6 140.65 49.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.91 163.89 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 10.4 mtmp? -140.61 143.0 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.744 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -138.48 162.84 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.14 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.95 145.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.5 mp -125.79 111.22 26.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' HB2' HE22 ' A' ' 35' ' ' GLN . 42.8 tt0 -98.61 136.61 38.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.752 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.642 ' HD1' ' CD2' ' A' ' 59' ' ' PHE . 75.4 m-85 -112.74 142.29 45.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -104.88 152.14 22.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.757 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.38 6.05 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.71 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.619 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 98.4 m-85 -144.83 148.83 40.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.74 -25.21 78.47 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.427 2.085 . . . . 0.0 112.035 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.52 -18.76 23.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.4 tmtt? -52.08 132.14 40.64 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 10.3 Cg_endo -51.76 110.99 0.49 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.384 2.056 . . . . 0.0 111.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.39 -169.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.452 2.102 . . . . 0.0 112.639 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -131.23 118.49 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.29 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 109' ' ' ILE . 92.3 t -134.76 138.31 49.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -165.56 145.01 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 72' ' ' PHE . 28.2 m-85 -71.84 132.25 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.32 -38.76 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -88.66 169.65 11.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.651 ' HB2' ' HZ2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -70.65 125.71 27.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 163.7 29.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.65 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 65.1 t80 -143.17 110.6 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -127.66 155.89 76.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.02 -25.84 72.38 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.317 2.011 . . . . 0.0 112.161 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.4 m120 -128.9 118.04 22.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.805 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -152.69 135.27 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.67 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 92.3 m-85 -85.94 174.48 9.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.059 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.53 1.64 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.68 4.64 81.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.94 164.48 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.683 0.278 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.6 mp -98.85 137.61 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.43 105.06 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.41 140.39 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.51 -20.93 66.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.683 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.4 tt -67.34 -26.6 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.2 -9.11 54.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.195 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -76.45 -164.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.8 -7.98 32.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -72.81 -10.76 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.08 140.82 58.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 75.2 m -135.75 142.28 40.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.668 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 19.2 Cg_exo -66.13 -2.36 6.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.539 2.159 . . . . 0.0 112.345 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 65.2 m -76.92 -41.02 45.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.63 ' HD1' ' CD2' ' A' ' 100' ' ' TYR . 98.7 m-85 -61.37 172.36 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.1 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -133.07 -171.46 2.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.46 -22.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 m -69.22 -32.09 71.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -62.11 -52.4 64.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.934 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.7 tp -59.17 -37.17 66.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.76 0.314 . . . . 0.0 111.359 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 24' ' ' VAL . 72.8 mt -61.29 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.122 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.9 p -59.97 -27.9 67.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.495 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -48.18 74.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.533 HD13 HG12 ' A' ' 70' ' ' VAL . 57.5 mt -69.85 -39.24 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.221 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.73 -44.26 90.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -72.48 -29.71 63.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -60.21 -35.24 74.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.76 -36.9 70.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.32 -55.22 37.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -159.81 114.62 1.49 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.72 -162.47 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.293 1.996 . . . . 0.0 112.409 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -126.98 114.83 22.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.81 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.56 14.4 1.64 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.422 2.081 . . . . 0.0 112.619 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -58.89 -51.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.9 m -133.32 84.03 48.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.674 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.5 117.24 3.82 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.688 2.259 . . . . 0.0 112.495 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -81.5 -43.44 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -105.37 110.85 23.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.457 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.1 m -70.79 -27.37 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.608 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.406 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 52.3 tt0 -69.42 -53.46 19.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.424 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.31 42.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.581 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.04 56.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.594 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.82 -36.21 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 0.0 111.349 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 125' ' ' GLN . 90.7 mt -63.8 -27.26 69.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.24 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -67.82 -32.33 72.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.642 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -98.4 -24.7 15.08 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.72 -80.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.25 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -106.35 92.58 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.32 -36.64 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -34.45 77.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -70.15 -27.53 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -75.99 -42.18 48.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.14 -45.66 84.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.158 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -58.28 -37.89 75.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 92.0 t -60.7 -44.47 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.4 m -62.47 -30.34 71.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.72 -56.97 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.577 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.6 pt -59.18 -35.33 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.469 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 55.1 t -70.42 -40.51 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -62.86 -42.16 99.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.295 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.48 -36.75 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.2 p -100.39 13.5 34.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.279 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 4.7 t90 -85.94 -51.15 6.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.751 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.64 102.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -100.31 -54.4 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.66 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.873 -179.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.718 0.295 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -158.81 153.26 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 61' ' ' GLU . 0.5 OUTLIER -170.77 165.37 5.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.968 -179.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.04 -34.77 0.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.44 2.094 . . . . 0.0 112.095 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.05 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -64.36 -52.88 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.151 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -58.31 -34.9 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.547 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -57.46 -48.23 79.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.314 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.48 -39.16 72.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.12 -31.47 72.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.457 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -75.01 -28.39 60.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -73.87 -37.04 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 23.9 t80 -70.59 -51.94 24.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -59.5 -31.63 69.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.673 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -79.76 -25.94 40.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.06 -46.83 88.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 14' ' ' LYS . 26.1 pt20 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.44 -40.74 66.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 110.539 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -158.94 82.08 2.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.464 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.61 150.36 74.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.509 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.88 141.69 59.79 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.385 2.057 . . . . 0.0 112.113 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -89.19 123.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.309 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.29 -5.13 55.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -159.17 148.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -137.3 145.59 43.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.973 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.16 112.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.346 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . . . -145.26 156.64 54.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.445 0.164 . . . . 0.0 111.172 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 53.4 Cg_endo -68.94 130.1 19.72 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.486 2.124 . . . . 0.0 112.174 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -59.6 -72.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -172.24 -30.06 0.01 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -84.1 110.13 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.2 m120 56.6 -177.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.654 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -113.21 -1.92 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -77.04 -50.1 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -83.73 121.5 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -122.31 135.87 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -100.09 122.68 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.12 150.32 51.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.45 122.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.23 130.33 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 37.9 m-85 -103.56 149.44 24.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.622 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.72 142.8 37.01 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.784 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.01 4.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 66.49 113.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.81 -3.73 17.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.048 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -110.97 161.34 25.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HB2' HG12 ' A' ' 141' ' ' VAL . 18.2 Cg_exo -66.62 2.55 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.371 2.047 . . . . 0.0 112.247 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -109.93 -6.92 15.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.27 -26.03 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.59 1.87 40.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.299 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.66 145.1 16.36 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.667 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.0 p -100.95 157.49 16.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.676 0.274 . . . . 0.0 110.924 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.657 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 55.2 m-85 -132.22 125.45 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -105.33 115.45 30.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -120.56 164.31 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.062 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.9 p -124.44 139.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.2 mp -107.56 109.72 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.562 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.78 155.97 16.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 59' ' ' PHE . 94.8 m-85 -136.11 162.63 32.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.698 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -136.94 128.6 28.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HG3' HG22 ' A' ' 3' ' ' THR . 42.2 tt0 -64.43 90.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -133.15 -76.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -143.69 154.66 59.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.47 -3.82 10.81 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.181 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -122.14 -4.78 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 48.4 tptt -60.43 130.43 89.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 36.2 Cg_endo -64.89 121.75 9.35 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.352 2.035 . . . . 0.0 112.188 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.27 -172.69 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.27 1.98 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -130.76 135.01 47.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.0 p -139.93 146.91 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.402 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -159.02 160.91 36.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -84.75 126.74 33.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.66 -34.74 74.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.514 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -92.31 140.42 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.07 113.9 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 mmt -127.5 163.26 24.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.53 118.79 34.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.426 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 39.2 m80 -127.03 157.48 71.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -59.31 -19.54 51.1 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.416 2.077 . . . . 0.0 112.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.57 119.44 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -148.16 129.18 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -72.43 172.21 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -94.4 8.5 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.33 10.36 84.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -68.21 169.47 10.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.5 mp -98.86 134.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.15 102.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.37 139.6 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.7 -23.81 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 18.9 tt -65.63 -28.46 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.6 tp -72.91 -17.42 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -79.73 -159.24 0.2 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -65.61 -6.18 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 95' ' ' ARG . 6.3 tpm_? -72.74 -12.76 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.425 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 64.1 t-105 -67.56 144.94 55.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 m -134.83 147.69 63.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.767 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.54 -5.22 14.69 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.701 2.267 . . . . 0.0 112.504 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 74.9 p -79.07 -44.12 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.424 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -59.37 167.57 1.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -136.27 -171.62 2.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.33 -24.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.624 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.7 m -70.26 -32.51 70.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.747 0.308 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.9 t -73.29 -47.0 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.605 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.251 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.78 -47.92 70.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.8 p -66.4 -27.97 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.2 m -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.2 -38.93 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.95 -31.86 73.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.41 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -68.01 -28.84 67.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.73 -25.15 59.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.47 -42.61 29.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.492 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.02 -44.17 96.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.981 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.45 113.75 1.53 Allowed Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.992 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -68.63 -171.41 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.378 2.052 . . . . 0.0 112.218 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.592 HD22 ' HB3' ' A' ' 119' ' ' ASN . 7.4 t30 -124.33 103.65 32.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.729 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.28 20.42 1.24 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.7 2.266 . . . . 0.0 112.53 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.592 ' HB3' HD22 ' A' ' 117' ' ' ASN . 2.8 t-20 -96.68 -19.58 18.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.0 m -154.91 87.33 3.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.18 134.36 8.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.478 2.119 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.64 -25.62 21.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -120.96 109.44 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.7 p -68.54 -33.3 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -70.2 -47.82 59.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.001 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.84 53.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.59 73.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -68.47 -30.05 68.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.96 -11.13 17.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.506 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -98.19 -78.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.936 0.398 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.78 103.55 12.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.46 -21.66 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.697 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -70.85 -38.49 73.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.25 -27.81 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.605 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 85.2 t80 -74.58 -50.03 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.15 -37.93 75.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 111.245 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.96 -30.32 71.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -76.01 -31.12 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 47' ' ' PRO . 66.6 t -59.09 -52.98 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.8 m -71.36 -30.21 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.63 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.797 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 46.4 pt -73.99 -35.92 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.0 -33.64 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.561 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 35.2 mt-10 -66.54 -30.67 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.326 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -64.07 -40.59 96.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.1 p -94.4 0.19 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . 0.47 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -73.09 -13.23 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -103.62 121.5 43.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -111.96 135.56 52.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.993 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -93.48 133.73 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.84 165.4 8.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -79.86 -33.79 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.392 2.061 . . . . 0.0 111.914 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.508 ' HA ' ' HG3' ' A' ' 64' ' ' PRO . . . -59.78 -34.2 72.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.21 -42.83 75.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.96 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.438 HH11 HH11 ' A' ' 11' ' ' ARG . 30.8 mmm180 -71.62 -42.27 67.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD11 HG12 ' A' ' 33' ' ' ILE . 90.2 mt -53.15 -43.61 67.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.81 -31.55 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.438 HH11 HH11 ' A' ' 8' ' ' ARG . 99.1 mtt180 -75.28 -31.85 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -74.38 -30.88 62.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.54 -51.48 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.7 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -79.66 -25.4 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.87 -43.01 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.441 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.5 -33.8 75.6 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.0 -42.04 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.16 83.56 3.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 156.43 62.72 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.61 150.6 79.83 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.405 2.07 . . . . 0.0 112.285 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.18 136.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.12 -19.66 50.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.816 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.444 HG13 ' HA ' ' A' ' 40' ' ' ILE . 19.4 m -145.63 157.11 12.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.435 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 t -135.91 146.94 47.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.724 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.73 87.75 0.12 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.68 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.05 153.69 67.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.547 0.213 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.91 110.32 2.35 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.389 2.06 . . . . 0.0 112.335 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 p -77.78 -62.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -136.68 -29.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 13.7 m120 -64.29 146.35 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.699 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -53.59 175.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 111.681 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 9' ' ' LEU . 20.6 tt -56.68 -18.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.523 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.5 mtt -71.18 -50.39 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 8.1 tt0 -104.24 127.57 51.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -114.74 153.64 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.12 116.9 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.382 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.12 148.91 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.012 0.434 . . . . 0.0 111.628 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.446 HG21 ' HG2' ' A' ' 54' ' ' LYS . 9.2 p -137.95 146.93 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.9 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 ' HA ' HG13 ' A' ' 24' ' ' VAL . 81.0 mt -129.2 120.46 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.627 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 44.7 m-85 -90.48 149.44 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.727 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.96 139.88 37.11 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.611 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.506 ' HD3' HD13 ' A' ' 113' ' ' LEU . 55.7 Cg_endo -70.6 178.83 4.67 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.429 2.086 . . . . 0.0 112.096 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.29 128.48 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.67 9.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.6 p -138.31 156.6 73.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.349 0.119 . . . . 0.0 111.135 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.9 2.32 3.16 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.267 1.978 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.63 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 8.4 m-85 -111.15 -3.28 15.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.712 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -57.56 -30.4 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.579 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.48 -37.83 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.32 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.27 -173.87 41.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.621 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 t -148.32 151.65 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -130.11 122.23 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG2' HG21 ' A' ' 39' ' ' VAL . 94.2 mttt -94.34 155.49 16.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.291 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.96 163.7 39.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.05 153.0 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.654 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.3 mp -126.81 123.26 62.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.3 125.04 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -103.61 151.07 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -101.63 161.61 13.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.75 6.05 36.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.01 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.615 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 96.5 m-85 -148.39 152.75 39.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.508 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 16.4 Cg_exo -67.26 -11.81 33.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.616 2.21 . . . . 0.0 112.112 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.62 -25.55 16.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.274 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 43.3 mmtm -55.87 151.99 21.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.44 125.91 17.95 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.412 2.075 . . . . 0.0 112.219 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.22 -172.84 1.1 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.295 1.997 . . . . 0.0 112.354 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.3 m -131.51 113.76 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 109' ' ' ILE . 98.1 t -130.3 136.89 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.839 0.352 . . . . 0.0 111.406 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -166.46 144.34 5.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.28 146.79 48.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.0 mt -87.94 -37.44 16.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.471 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.2 m -90.4 143.91 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.716 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -56.37 125.73 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.53 164.18 30.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.667 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 54.7 t80 -137.98 115.4 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -129.49 156.13 79.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.64 -18.31 39.74 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.277 1.985 . . . . 0.0 111.974 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.447 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.1 m120 -134.9 118.3 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -153.27 121.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.631 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 52.5 m-85 -66.18 176.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.959 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.45 74.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.58 7.69 32.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.58 4.18 87.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.588 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.3 m -63.26 158.3 20.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.445 HD11 HG13 ' A' ' 70' ' ' VAL . 4.4 mp -90.9 137.15 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 65.0 m -80.94 104.7 11.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.502 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -134.12 143.49 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' H ' HD11 ' A' ' 89' ' ' LEU . 20.8 t70 -68.61 -22.09 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 89' ' ' LEU . 17.3 tt -69.61 -13.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.084 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.84 -25.62 61.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.419 ' HB3' ' H ' ' A' ' 94' ' ' ASN . 1.7 mp0 -73.25 -164.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.419 ' H ' ' HB3' ' A' ' 93' ' ' GLN . 79.4 m-20 -67.19 -0.24 3.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -72.24 -8.51 55.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.994 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.15 147.28 48.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.4 m -136.58 151.94 73.74 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.14 1.78 7.42 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.434 2.09 . . . . 0.0 112.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 m -86.82 -48.4 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.649 ' HE1' ' CE2' ' A' ' 100' ' ' TYR . 86.7 m-85 -56.6 151.13 14.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.41 -175.67 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.78 -26.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.8 m -63.36 -32.32 73.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.5 t -61.19 -30.13 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.96 -27.41 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.71 -42.66 70.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.0 p -73.85 -29.89 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.773 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.2 p -62.76 -41.21 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.212 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.515 HD12 HG12 ' A' ' 70' ' ' VAL . 70.9 mt -73.24 -38.59 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.423 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.93 -32.2 71.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m -67.45 -29.18 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.67 -26.13 65.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.506 HD13 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -76.57 -42.16 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.005 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 44.7 mt-10 -115.38 98.9 51.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 115' ' ' GLU . 11.6 Cg_endo -55.45 -18.24 18.89 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.703 2.268 . . . . 0.0 112.484 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -125.44 103.11 29.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -89.66 21.51 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.663 2.242 . . . . 0.0 111.976 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 66.08 149.34 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.64 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.5 m 57.81 93.27 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.47 144.61 90.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.562 2.174 . . . . 0.0 112.635 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.447 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -112.35 -25.85 9.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.904 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -129.58 105.76 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.413 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -64.77 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.256 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.42 -52.47 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.535 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.91 41.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.613 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.67 73.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.382 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.51 -38.54 89.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.147 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.39 -26.71 68.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.289 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -64.31 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.468 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -99.73 -45.56 5.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.648 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.77 -77.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.748 0.308 . . . . 0.0 111.274 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.11 88.31 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.29 -26.78 66.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.694 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.02 -29.68 69.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.81 -31.92 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 137' ' ' TYR . 75.5 t80 -73.71 -47.41 39.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.369 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.29 -40.74 87.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.386 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -64.06 -34.14 77.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -68.21 -34.22 75.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.5 -48.04 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.3 p -66.17 -30.3 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.6 -57.96 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.484 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -58.46 -31.43 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.677 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.7 t -76.03 -41.85 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.244 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.49 -34.34 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.02 -39.76 91.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -97.94 9.61 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.81 161.27 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.718 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.7 t30 60.37 -87.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -130.72 162.31 29.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.862 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.771 0.32 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -90.13 139.26 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.092 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -143.45 156.0 60.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.424 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.67 -31.72 69.38 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.733 2.289 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.47 68.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -65.16 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.011 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -71.69 -31.52 66.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -77.55 -41.26 39.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.5 -36.02 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.337 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.24 -51.72 19.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -56.68 -28.69 61.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.336 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.58 -34.52 72.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 t80 -65.33 -52.91 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.839 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -31.86 72.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.03 0.443 . . . . 0.0 110.266 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -75.14 -28.38 60.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.175 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.27 -47.13 29.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.441 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -57.99 -23.81 55.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 111.419 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.29 -48.64 49.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.504 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -141.64 79.97 16.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.4 Cg_endo -65.74 148.03 86.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.549 2.166 . . . . 0.0 112.264 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.8 Cg_exo -64.49 156.06 62.73 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.525 2.15 . . . . 0.0 112.191 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.86 138.07 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 -22.61 13.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.317 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 40' ' ' ILE . 27.1 m -140.36 160.04 25.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -151.26 148.1 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.06 125.2 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.16 146.35 19.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.375 0.131 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.5 106.46 1.96 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.482 2.121 . . . . 0.0 112.471 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -77.54 -156.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.404 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.65 -19.59 4.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.3 146.48 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.013 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -52.58 168.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.455 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.12 -26.0 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.004 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.1 mtm -73.68 -0.27 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.565 0.221 . . . . 0.0 111.377 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -140.51 117.47 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -117.62 135.12 54.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -100.61 126.83 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.35 147.31 52.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.125 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.0 t -118.63 120.55 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' HA ' HG13 ' A' ' 24' ' ' VAL . 59.7 mt -111.44 130.93 64.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -104.33 133.82 48.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' HA2' HD13 ' A' ' 113' ' ' LEU . . . -58.79 145.74 42.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.51 -174.86 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.29 1.993 . . . . 0.0 112.229 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.92 138.65 31.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.2 63.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.656 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 p -116.68 157.05 47.02 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.33 0.109 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.74 -0.15 5.69 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.474 2.116 . . . . 0.0 112.17 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -111.05 -2.35 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.017 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.53 -31.05 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.34 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.07 -32.8 22.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -94.14 176.33 35.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.638 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.6 p -137.35 143.59 42.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -123.72 144.3 49.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -119.86 139.81 51.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.45 164.62 28.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 111.418 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -126.53 134.38 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.55 111.11 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.31 132.75 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -112.28 148.17 34.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -113.65 126.35 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.597 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.57 94.42 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -144.3 -83.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.662 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 88.7 m-85 -146.19 153.03 48.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.4 -17.29 52.54 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.49 2.126 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.45 -14.16 19.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.487 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 24.7 tptp -58.13 132.04 84.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.487 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 12.2 Cg_endo -56.65 135.55 71.11 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.353 2.035 . . . . 0.0 111.99 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -85.41 175.11 6.49 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.556 2.171 . . . . 0.0 112.641 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.5 m -128.75 130.19 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.504 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p -139.99 146.95 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.905 0.383 . . . . 0.0 111.358 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -166.86 142.02 4.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.59 ' HD1' ' CD2' ' A' ' 72' ' ' PHE . 32.7 m-85 -65.49 147.68 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -85.79 -30.71 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.454 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 m -101.55 165.76 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.754 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HB3' ' HZ3' ' A' ' 75' ' ' LYS . 2.4 mmmp? -67.95 133.58 49.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -142.02 156.95 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.665 ' HE2' ' CE1' ' A' ' 77' ' ' PHE . 84.5 t80 -134.0 120.74 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -134.41 158.78 74.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.73 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.61 -19.21 36.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.402 2.068 . . . . 0.0 112.503 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.445 ' HB3' ' H ' ' A' ' 122' ' ' ALA . 4.8 p30 -144.87 118.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.34 157.0 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -98.51 174.33 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -24.98 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.03 4.93 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 12.44 75.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.619 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -71.89 165.24 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.638 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.456 HG21 HD21 ' A' ' 112' ' ' LEU . 4.9 mp -97.22 134.57 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 49.5 t -85.32 94.46 8.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.42 ' HG ' ' HB3' ' A' ' 108' ' ' SER . 0.1 OUTLIER -125.85 137.81 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 11.5 m-20 -60.97 -29.91 69.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 89' ' ' LEU . 16.6 tt -66.24 -26.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.5 tp -68.3 -25.36 65.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.19 -163.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.33 -7.16 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.322 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HD3' ' HB3' ' A' ' 90' ' ' ASP . 76.8 mtp180 -73.58 0.83 11.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -75.82 147.75 38.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.1 m -141.81 148.23 48.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.77 -1.43 10.38 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.376 2.051 . . . . 0.0 112.612 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.9 t -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.248 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -98.4 -179.91 4.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -140.21 -173.89 3.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.95 -21.94 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.2 m -69.98 -31.87 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.0 m -61.1 -52.02 66.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.816 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.57 -36.98 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.92 -47.83 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.4 p -74.67 -27.55 60.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.42 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.22 -38.5 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.429 ' NE2' HG11 ' A' ' 24' ' ' VAL . 36.5 tt0 -59.0 -31.95 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.772 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.2 t -69.97 -29.43 66.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.456 HD21 HG21 ' A' ' 87' ' ' ILE . 26.3 tp -57.75 -31.86 66.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.423 HD13 ' HA2' ' A' ' 42' ' ' GLY . 1.9 mt -77.2 -44.81 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.12 -35.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.49 98.07 50.12 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.786 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.38 -15.98 26.84 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.473 2.116 . . . . 0.0 112.42 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -120.47 104.14 43.21 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.76 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -85.45 21.14 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.682 2.255 . . . . 0.0 112.209 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 m120 61.38 13.67 5.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.957 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -163.46 68.59 1.73 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.28 146.3 96.78 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.611 2.207 . . . . 0.0 112.24 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.445 ' H ' ' HB3' ' A' ' 80' ' ' ASN . . . -111.5 -31.11 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -114.43 99.85 7.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.538 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 t -66.71 -27.81 67.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.333 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.73 21.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.48 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.241 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.482 HE21 ' HG2' ' A' ' 132' ' ' GLU . 23.1 tp60 -67.11 -48.35 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.52 -27.75 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.641 ' HE2' ' CE1' ' A' ' 130' ' ' TYR . 69.3 t80 -62.69 -44.0 97.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -91.5 -16.6 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.482 ' HG2' HE21 ' A' ' 128' ' ' GLN . 15.3 mm-40 -92.71 -75.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.096 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.69 88.08 2.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.856 0.36 . . . . 0.0 110.5 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -64.93 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -81.65 -30.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -72.84 -46.21 54.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.92 -33.07 74.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -69.77 -35.95 75.34 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -70.87 -51.12 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.16 -35.88 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 84.0 p -71.02 -30.52 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.79 18.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 pt -59.45 -31.94 47.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.462 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.4 HG11 ' HA3' ' A' ' 51' ' ' GLY . 53.5 t -75.34 -41.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.97 -46.21 88.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.53 -25.74 68.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.0 m -104.66 8.5 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.26 100.34 11.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.2 162.24 22.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -140.08 -9.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.935 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -99.67 123.31 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -139.55 156.38 71.38 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.447 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.07 -33.48 73.36 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.543 2.162 . . . . 0.0 112.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.49 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.26 -35.02 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.64 -34.32 77.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.452 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 28.1 mmt180 -77.0 -34.06 57.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.069 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB3' HD12 ' A' ' 33' ' ' ILE . 66.9 mt -62.97 -29.67 70.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.62 -31.62 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.986 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.7 -40.76 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.621 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 26.3 t80 -69.39 -49.21 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -52.85 -39.05 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.616 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -79.8 -25.49 40.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.02 -44.28 66.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.434 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.18 -24.72 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.456 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.01 -41.91 27.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -143.09 80.01 13.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.597 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.99 150.8 78.1 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.532 2.154 . . . . 0.0 112.264 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 153.26 74.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.384 2.056 . . . . 0.0 111.994 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -90.57 141.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 -11.2 60.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 HD21 ' A' ' 106' ' ' LEU . 15.0 p -155.62 151.25 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.694 0.283 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -139.73 133.68 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.53 128.71 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.326 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 150.62 20.01 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 108.6 2.71 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.401 2.067 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -129.29 143.65 50.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 62.87 -81.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.37 145.66 42.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.38 -173.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.349 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HD13 ' HE1' ' A' ' 36' ' ' TRP . 10.3 tp -56.92 -21.36 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.191 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -58.23 -54.63 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.32 144.97 33.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.103 0.478 . . . . 0.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' HE1' HD13 ' A' ' 33' ' ' ILE . 6.8 m0 -123.19 146.33 47.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.52 128.22 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.66 150.17 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.6 120.3 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -103.53 120.89 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.669 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 33.5 m-85 -94.62 152.21 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.66 24.85 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.755 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.4 5.41 5.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.742 2.294 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 66.73 104.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.06 11.42 3.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.956 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 80.9 p -132.65 159.62 71.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 C-N-CA 122.016 0.126 . . . . 0.0 110.796 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 34.8 Cg_endo -65.43 -3.13 7.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.182 1.921 . . . . 0.0 112.396 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 48' ' ' PHE . 46.9 m-85 -97.57 -12.86 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.749 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.34 -27.54 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.19 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.34 0.29 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.52 177.15 23.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.632 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.8 p -126.68 152.0 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.012 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -130.91 135.07 47.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -111.81 139.44 47.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.601 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD11 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.58 164.17 29.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.06 137.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.944 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.462 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.3 mp -112.36 112.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.79 150.67 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -134.36 150.07 50.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -107.05 138.08 43.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.481 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.2 4.08 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.5 -83.11 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 96.7 m-85 -142.53 155.5 63.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.452 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 66.9 Cg_endo -73.88 -0.81 9.95 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.4 -18.21 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 34.9 mmtp -60.36 146.83 83.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 113.04 3.22 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.466 2.111 . . . . 0.0 112.371 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.8 161.63 43.27 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.327 2.018 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.4 m -116.58 117.97 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.72 145.78 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -159.65 146.63 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.624 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 42.4 m-85 -69.32 147.8 50.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.03 -28.45 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.5 t -98.6 157.99 15.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HD3' ' H ' ' A' ' 76' ' ' MET . 3.2 tppp? -61.11 138.48 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.415 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -152.97 154.28 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 -179.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.63 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 64.9 t80 -131.11 115.53 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.301 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -132.71 156.64 79.86 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.988 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.0 -18.47 43.21 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.461 2.107 . . . . 0.0 112.314 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -138.47 118.32 13.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.837 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' H ' ' ND2' ' A' ' 123' ' ' ASN . 77.1 t -153.44 126.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.652 ' HD2' ' CD1' ' A' ' 82' ' ' TYR . 87.3 m-85 -72.63 168.2 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.91 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.32 -16.2 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.21 8.39 60.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -68.54 168.64 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.8 mp -97.89 137.64 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.55 109.92 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.7 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.545 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.24 146.24 36.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.243 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 89' ' ' LEU . 16.5 tt -66.6 -21.85 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.3 mt -76.51 -9.97 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.31 -163.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.64 -3.91 17.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -72.92 -17.99 61.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -57.14 142.44 42.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -134.01 142.88 45.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.77 -3.79 13.4 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.569 2.179 . . . . 0.0 112.328 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.4 m -75.05 -41.22 59.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -65.76 -179.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.6 -171.6 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.23 -26.22 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -66.42 -32.58 74.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.6 p -56.29 -42.6 77.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -31.76 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.414 HD21 HG23 ' A' ' 24' ' ' VAL . 1.8 mp -65.63 -54.54 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.5 p -65.19 -27.57 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -61.81 -48.56 80.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.1 -34.79 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HA ' HD22 ' A' ' 113' ' ' LEU . 61.6 tt0 -59.08 -33.46 70.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -72.24 -29.23 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.428 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.05 -56.35 20.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.563 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.569 HD21 ' H ' ' A' ' 113' ' ' LEU . 0.9 OUTLIER -67.41 -22.19 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 0.0 111.003 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.69 -40.67 72.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -171.54 121.15 0.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.13 -165.6 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.438 2.092 . . . . 0.0 112.263 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -111.69 147.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -23.78 72.09 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.485 2.123 . . . . 0.0 112.364 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -70.01 -179.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -79.8 148.01 67.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.81 -160.99 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.02 -6.19 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.209 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 81' ' ' VAL . 37.9 m-80 -135.66 99.82 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.3 p -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -74.86 -48.39 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.44 65.75 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.67 75.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.34 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.3 -34.87 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.97 -27.63 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -70.25 -49.19 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.441 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.29 -76.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -126.99 85.01 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -63.81 -14.09 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.77 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -78.94 -34.8 44.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -69.41 -48.58 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 -36.8 73.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -64.4 -32.04 73.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.583 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -74.85 -30.99 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.699 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.21 -43.61 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -71.2 -34.46 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.12 19.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.3 pt -58.72 -32.38 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.784 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 48.4 t -74.56 -42.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.365 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.2 -34.65 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.156 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -69.02 -30.2 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -104.17 11.56 34.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -80.66 113.19 18.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -62.01 138.94 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.87 93.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 61.4 p . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.914 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -140.02 147.35 40.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -160.78 165.22 17.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.211 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -79.85 -36.1 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.374 2.05 . . . . 0.0 111.772 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 3' ' ' THR . . . -57.59 -34.06 68.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.452 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -66.34 -45.68 79.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.591 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -59.12 -32.81 70.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.957 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.9 mt -54.68 -33.24 60.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.9 mtp -72.73 -35.96 67.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.91 -37.24 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -70.59 -30.48 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -72.07 -56.1 6.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.424 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HZ1' ' HB2' ' A' ' 15' ' ' ARG . 3.5 pptp? -55.8 -31.96 63.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.164 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' HB2' ' HZ1' ' A' ' 14' ' ' LYS . 71.3 ttt180 -80.12 -26.23 39.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -71.5 -44.57 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.421 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.53 -27.24 68.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.761 0.315 . . . . 0.0 111.355 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.57 -50.67 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -141.91 70.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.95 144.47 8.27 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.87 146.65 85.4 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.458 2.105 . . . . 0.0 112.294 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.85 118.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.332 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.84 -23.69 31.72 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.673 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.91 166.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 m -149.77 141.89 24.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.59 110.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.636 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.69 151.95 23.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.062 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.71 121.12 8.15 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.508 2.138 . . . . 0.0 112.219 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -97.94 -76.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -106.73 -38.21 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.676 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.04 145.78 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.71 -174.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.14 -20.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.396 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.5 mtp -59.75 -63.83 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.65 137.68 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -114.43 144.81 42.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -100.92 102.82 13.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.61 149.89 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.392 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.68 119.9 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.916 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -110.94 122.25 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -95.01 133.77 38.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.759 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.19 146.99 47.74 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.61 177.02 8.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.501 2.134 . . . . 0.0 112.095 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.97 169.73 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.99 21.33 61.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.764 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.434 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 82.5 p -135.22 157.46 76.72 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 122.933 -0.157 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 43.8 Cg_endo -67.9 -2.82 9.36 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.314 2.009 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -102.1 -7.83 21.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.89 -35.05 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.441 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.96 -18.48 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.452 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -106.77 173.73 19.51 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.854 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -135.43 154.81 51.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.74 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.18 139.4 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 111.354 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -115.62 138.45 51.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.457 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.71 164.07 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.348 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.58 136.09 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.3 mp -108.1 112.26 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.1 124.53 36.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -105.48 148.08 27.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.1 p -128.77 144.31 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.273 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -50.92 -87.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 44.8 -98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.449 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.658 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 94.2 m-85 -147.09 147.23 28.4 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -62.13 -11.28 21.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.599 2.2 . . . . 0.0 112.462 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -98.33 -15.81 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 41.0 mmtm -67.85 148.33 98.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.83 142.34 28.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.511 2.141 . . . . 0.0 112.486 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.1 172.35 10.84 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.607 2.205 . . . . 0.0 112.451 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -118.0 112.73 20.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -119.99 148.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.877 0.37 . . . . 0.0 111.442 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -158.54 144.31 16.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.66 ' HE2' ' CE1' ' A' ' 72' ' ' PHE . 43.4 m-85 -70.79 148.36 47.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.3 mt -98.04 -44.6 6.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -82.94 156.77 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.15 124.85 20.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.58 164.18 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.649 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 77.0 t80 -142.59 108.08 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -120.61 157.62 53.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.06 -23.25 67.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.548 2.166 . . . . 0.0 112.264 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -140.97 118.96 11.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.26 144.14 13.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.659 ' HD1' ' CD2' ' A' ' 82' ' ' TYR . 96.4 m-85 -82.63 173.59 11.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -31.98 73.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.93 -13.09 56.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.48 4.83 57.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -64.84 163.11 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -99.4 136.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -91.53 101.49 14.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -125.91 150.4 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.766 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' H ' HD11 ' A' ' 89' ' ' LEU . 10.7 m-20 -78.86 -15.88 57.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.552 HG23 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -64.74 -28.23 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -67.57 -22.63 65.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.78 -165.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -67.87 -1.29 5.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.67 -0.55 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -79.81 140.34 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -121.84 153.02 60.14 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.03 4.56 6.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.626 2.217 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.8 p -89.32 -44.82 9.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -64.07 167.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -128.12 -170.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.43 -29.66 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.74 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.8 p -60.25 -32.5 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -60.07 -47.5 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.361 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -31.67 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.96 -46.55 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.4 p -72.78 -27.35 61.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.314 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -64.78 -48.35 74.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.8 mt -65.8 -35.15 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -66.53 -29.32 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.53 -32.28 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.839 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.05 -44.94 94.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.58 -58.78 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -142.21 100.48 5.82 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.45 -173.34 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.252 1.968 . . . . 0.0 112.315 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -127.7 114.6 20.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.63 15.29 1.08 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.402 2.068 . . . . 0.0 112.613 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.11 -71.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.0 t -120.23 83.5 32.43 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.97 120.42 7.58 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.655 2.237 . . . . 0.0 112.247 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 -51.01 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.832 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.5 103.67 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.414 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -70.52 -30.0 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.281 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -65.16 -45.91 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.304 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.4 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.54 74.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.55 -38.67 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.175 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.27 -27.38 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.93 -31.75 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -103.7 -13.61 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -95.39 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.997 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -128.75 98.72 5.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -73.3 -22.9 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.745 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -69.9 -30.53 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.94 -27.49 49.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.397 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -71.47 -47.07 57.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.828 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.12 -34.07 77.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.2 -32.83 61.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -72.15 -40.21 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.43 -33.32 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.2 t -65.61 -30.44 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.31 -54.05 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.64 -31.11 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.486 HG11 ' HA3' ' A' ' 51' ' ' GLY . 40.0 t -78.16 -39.59 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.72 -32.05 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.48 -40.88 85.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -99.11 14.51 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.24 101.74 10.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.66 144.63 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -146.76 -68.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.838 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 t -70.87 104.73 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -113.64 155.75 44.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.253 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.48 -34.03 54.95 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.565 2.177 . . . . 0.0 112.36 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.91 81.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.94 -33.74 64.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -57.65 -40.4 79.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -65.26 -36.77 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -28.63 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.004 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.74 -44.85 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.545 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -68.15 -31.04 70.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.284 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.12 -36.0 66.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.339 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -66.2 -39.48 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -52.87 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.326 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 4.0 tpm_? -67.44 -25.37 65.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.377 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.32 -51.75 19.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.574 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.41 -28.32 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.471 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.77 -39.35 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.069 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -147.89 80.03 9.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.35 157.84 55.8 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.529 2.153 . . . . 0.0 112.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.08 152.59 70.42 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.443 2.095 . . . . 0.0 112.055 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.88 127.1 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.82 -26.82 22.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.432 HG11 ' NE2' ' A' ' 110' ' ' GLN . 30.7 m -140.16 155.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t -142.79 142.65 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -147.5 103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.535 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.0 151.51 49.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.74 112.24 3.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.413 2.075 . . . . 0.0 112.223 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -87.53 -74.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -113.69 -29.76 7.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -69.74 145.82 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -58.31 177.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -57.46 -22.62 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.51 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.98 -38.97 92.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -118.56 134.14 55.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.403 ' O ' HG22 ' A' ' 56' ' ' VAL . 12.6 m0 -116.64 147.7 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.19 107.12 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.69 149.95 39.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.594 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.86 123.72 52.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.14 128.14 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -100.0 149.86 23.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.09 141.99 29.93 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.418 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.45 144.71 23.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.47 2.113 . . . . 0.0 112.21 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -57.98 128.59 37.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.82 1.97 32.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.3 p -120.83 157.72 53.99 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.379 0.133 . . . . 0.0 110.888 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.42 -1.45 6.52 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.442 2.095 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -103.08 -10.08 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -20.2 66.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.9 -32.11 45.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.295 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.62 -171.07 16.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.81 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -135.74 154.22 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -128.61 156.12 43.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.65 143.4 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.589 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -146.15 163.18 36.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.024 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 36' ' ' TRP . 10.4 p -122.37 146.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.36 110.7 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.007 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.57 125.17 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.612 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 75.7 m-85 -101.83 155.56 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.8 p -105.22 144.9 31.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.89 5.09 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.13 -82.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 97.5 m-85 -145.91 154.29 50.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.0 10.51 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.264 1.976 . . . . 0.0 112.438 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.56 -14.46 9.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 30.1 mmmt -63.96 151.56 89.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.734 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.04 120.97 9.25 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.395 2.064 . . . . 0.0 112.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.44 -177.62 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.359 2.039 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.3 113.5 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.448 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG12 HD12 ' A' ' 109' ' ' ILE . 80.9 t -132.48 134.68 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -166.99 135.64 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.96 132.43 48.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.59 -31.86 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.3 t -95.7 155.07 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.27 150.71 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.664 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -159.45 161.96 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.328 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -143.13 108.24 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.599 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.453 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 64.6 m80 -122.09 160.09 48.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 19.1 Cg_endo -58.57 -15.1 23.82 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.492 2.128 . . . . 0.0 112.184 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -153.92 118.65 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.466 ' N ' ' HB1' ' A' ' 122' ' ' ALA . 9.9 p -154.55 159.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.27 169.29 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.62 82.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.08 -2.44 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.22 0.06 59.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -60.92 148.7 38.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.736 0.303 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 87' ' ' ILE . 5.0 mp -91.36 132.09 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.405 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.11 96.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.3 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 108' ' ' SER . 0.5 OUTLIER -118.16 144.31 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.984 0.421 . . . . 0.0 111.122 -179.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.82 -15.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.502 ' H ' HD23 ' A' ' 89' ' ' LEU . 13.3 tt -73.3 -20.65 18.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.9 mt -71.44 -29.31 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.94 -163.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.472 HD21 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -64.74 -2.52 2.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.706 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.472 ' N ' HD21 ' A' ' 94' ' ' ASN . 83.3 mtp180 -80.34 8.67 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -88.79 148.28 24.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 m -143.98 148.99 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.454 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.41 15.9 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.345 2.03 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.9 m -93.54 -45.37 7.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.665 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 86.6 m-85 -67.12 175.2 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -137.98 -171.17 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.65 -22.45 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.752 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.4 t -69.78 -32.27 70.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.9 t -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.615 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -34.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.486 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.477 HD12 ' HA3' ' A' ' 26' ' ' GLY . 24.5 mt -61.65 -49.7 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.339 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.5 p -67.28 -27.81 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.526 ' HB3' HD22 ' A' ' 89' ' ' LEU . 74.5 m -63.98 -46.05 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.392 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.488 HD12 HG12 ' A' ' 70' ' ' VAL . 79.5 mt -63.77 -44.65 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.432 ' NE2' HG11 ' A' ' 24' ' ' VAL . 35.4 tt0 -60.07 -35.61 75.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -65.06 -29.23 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.818 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.06 -23.27 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.695 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.78 -43.86 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.708 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.82 -42.69 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.174 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.58 82.62 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.68 162.26 28.87 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.359 2.039 . . . . 0.0 112.188 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -103.7 106.89 54.51 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.06 7.02 2.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.393 2.062 . . . . 0.0 112.576 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -86.12 113.27 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.756 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.0 t 56.64 79.97 0.31 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.82 176.02 8.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.657 2.238 . . . . 0.0 112.165 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HB1' ' N ' ' A' ' 81' ' ' VAL . . . -111.91 -20.82 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.419 . . . . 0.0 110.312 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -120.54 111.09 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.652 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 56.7 m -70.83 -28.6 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.379 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -74.22 -45.82 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.233 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.19 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.99 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.582 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.82 -50.78 61.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.147 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.1 -27.38 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.056 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.07 -23.57 63.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -98.53 -60.06 1.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.34 -79.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.413 ' HB3' ' HG2' ' A' ' 136' ' ' GLU . 41.4 m-80 -116.8 96.12 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.95 -20.8 63.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -69.43 -37.44 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 133' ' ' ASN . 10.1 mm-40 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 60.7 t80 -78.37 -52.06 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.426 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.15 -36.36 75.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -61.13 -33.95 74.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -76.18 -40.35 52.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.27 -35.7 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m -69.28 -30.85 69.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.77 -54.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.529 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 pt -57.15 -41.03 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.743 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.22 -30.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.209 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.1 -32.64 74.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -67.05 -24.87 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.5 m -93.6 -4.55 50.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.31 -171.63 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.2 m120 63.59 8.13 3.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -108.12 -11.12 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.804 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.955 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -155.63 112.86 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p -151.44 154.53 33.62 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.359 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.07 -29.25 40.38 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.68 68.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.21 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.454 ' HG2' HG12 ' A' ' 33' ' ' ILE . 6.1 tmm_? -66.04 -30.83 71.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.68 -44.71 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -59.57 -43.84 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.6 -28.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.46 -37.29 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -74.97 -28.83 60.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -73.48 -40.32 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.621 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 18.5 t80 -59.8 -39.78 86.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -51.55 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.626 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 1.2 tpm_? -57.85 -30.35 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.6 -44.37 97.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.97 -45.01 87.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.38 -25.25 67.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.176 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -160.72 82.22 2.1 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.295 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.47 151.23 25.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.751 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HG3' HD13 ' A' ' 106' ' ' LEU . 55.9 Cg_endo -70.23 141.12 42.5 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.171 1.914 . . . . 0.0 112.244 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.8 137.23 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 -17.19 51.31 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG13 ' HA ' ' A' ' 40' ' ' ILE . 19.6 m -144.7 149.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.486 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -128.02 150.1 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -158.58 85.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.73 152.87 63.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.524 0.202 . . . . 0.0 111.082 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.17 115.71 4.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 112.001 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.8 t -84.93 -87.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -102.96 -5.93 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.568 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -85.15 146.02 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.782 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -61.86 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.257 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.454 HG12 ' HG2' ' A' ' 6' ' ' ARG . 9.2 tp -60.15 -26.29 35.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.5 -69.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.522 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.24 140.99 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.415 ' O ' HG21 ' A' ' 56' ' ' VAL . 10.8 m0 -120.43 172.18 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.557 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -125.54 112.9 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.484 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.64 150.51 48.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 111.609 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 3.6 p -136.55 132.06 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.415 ' HA ' HG13 ' A' ' 24' ' ' VAL . 84.8 mt -119.79 128.31 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -101.39 142.83 32.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.72 138.91 48.76 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.447 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.75 159.28 51.21 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.392 2.061 . . . . 0.0 112.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.78 116.12 8.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.2 8.9 10.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -126.99 157.42 72.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.353 0.121 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.02 -1.53 6.33 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.17 1.913 . . . . 0.0 112.283 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.628 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 21.8 m-85 -104.66 -6.25 20.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.26 -31.82 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.55 -45.83 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.7 171.14 55.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.719 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -125.16 152.14 44.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.667 0.27 . . . . 0.0 110.758 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.593 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 74.6 m-85 -137.11 137.93 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 111.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 67.7 mttm -122.31 128.35 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.314 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.68 164.14 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 36' ' ' TRP . 7.4 p -122.33 143.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.619 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 70' ' ' VAL . 4.7 mp -116.09 109.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.5 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.68 123.63 33.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.91 150.55 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -113.3 160.8 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HB2' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -93.07 10.8 29.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.628 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 97.5 m-85 -143.96 151.75 53.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.76 -25.53 79.48 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.52 2.147 . . . . 0.0 112.295 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -98.7 -12.87 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 63' ' ' TYR . 1.5 tpmt? -55.27 131.06 69.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 11.7 Cg_endo -54.88 109.05 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.583 2.189 . . . . 0.0 112.277 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.27 -173.77 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.299 2.0 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.1 m -129.93 137.38 50.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG13 ' A' ' 57' ' ' ILE . 10.4 p -140.16 149.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -165.69 150.61 8.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 30.8 m-85 -77.89 136.55 38.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.237 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.07 -53.53 10.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.841 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -71.23 -13.62 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 56.35 96.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.465 ' HB2' HD13 ' A' ' 144' ' ' ILE . 20.9 ptm -102.53 164.04 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.606 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 53.5 t80 -87.71 121.22 29.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.239 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.87 156.37 62.26 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.741 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.29 -31.92 34.26 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.153 . . . . 0.0 111.868 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -136.11 119.11 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.72 151.71 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -87.37 163.7 16.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.97 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.02 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.9 -13.55 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.03 2.59 74.41 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.583 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -70.36 150.9 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.01 135.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -70.77 105.86 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.461 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -152.44 138.59 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' H ' HD11 ' A' ' 89' ' ' LEU . 3.7 m-20 -65.23 -19.05 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.461 ' H ' HD13 ' A' ' 89' ' ' LEU . 14.7 tt -73.23 -27.29 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.281 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.48 -26.4 66.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.97 -167.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -69.45 -0.42 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -72.27 -12.0 60.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.619 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -58.26 144.94 39.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 m -131.14 148.5 70.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.1 -7.89 21.29 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.428 2.086 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.9 p -74.3 -35.48 63.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -74.08 173.36 10.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -125.3 -173.78 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.9 -34.63 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.4 p -60.93 -32.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -57.58 -42.77 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -29.97 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD12 ' HA3' ' A' ' 26' ' ' GLY . 96.0 mt -65.84 -54.16 30.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.777 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.0 p -61.97 -28.59 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -63.97 -48.41 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.44 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.92 -32.61 74.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.678 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 t -65.71 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.834 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.49 -32.1 69.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.93 -45.08 62.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.27 -64.93 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.071 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.3 107.95 3.62 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.03 -162.39 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.495 2.13 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -127.77 106.89 20.52 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.08 15.58 1.95 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.494 2.13 . . . . 0.0 112.733 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -69.84 -30.1 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 110.767 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.8 m -153.7 113.22 2.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.75 137.23 8.75 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.6 2.2 . . . . 0.0 112.564 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.05 -42.85 6.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.61 HD21 ' H ' ' A' ' 126' ' ' ALA . 3.4 t30 -107.14 101.74 11.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.6 p -70.35 -31.22 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.768 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -36.69 84.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.772 0.32 . . . . 0.0 111.311 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.61 ' H ' HD21 ' A' ' 123' ' ' ASN . . . -74.42 -54.82 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.646 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.01 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.399 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.38 -27.17 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.653 ' HE2' ' CE1' ' A' ' 130' ' ' TYR . 77.2 t80 -62.54 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -94.71 -17.81 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -93.34 -79.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.223 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -112.07 99.7 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -72.7 -24.02 60.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.93 -30.17 66.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.03 -27.62 61.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.401 ' O ' HG21 ' A' ' 141' ' ' VAL . 57.9 t80 -75.98 -48.85 19.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.101 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.65 -49.14 77.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.614 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.33 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.18 -32.88 72.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 137' ' ' TYR . 86.8 t -66.89 -45.11 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.2 p -68.78 -30.13 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -52.87 26.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.592 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.581 ' HA ' HE21 ' A' ' 147' ' ' GLN . 34.6 pt -60.88 -38.55 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.469 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.95 -36.22 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.962 0.411 . . . . 0.0 110.787 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.57 -28.72 70.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.032 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' A' ' 144' ' ' ILE . 38.7 mt-30 -58.21 -50.78 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.226 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.2 t -98.64 -80.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 54.39 -167.77 0.08 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.591 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 65.97 127.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.979 0.418 . . . . 0.0 111.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -112.89 -40.26 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.967 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.935 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tmm? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -117.75 118.24 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -126.22 154.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.461 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.95 -36.53 22.43 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.666 2.244 . . . . 0.0 112.575 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -57.07 -44.85 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -66.75 -51.87 50.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.438 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -60.2 -29.24 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.754 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -42.87 64.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.691 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.92 -29.15 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.558 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HB3' HG13 ' A' ' 102' ' ' VAL . 12.5 m-20 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.69 -44.49 96.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -51.55 -39.71 58.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.171 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -79.52 -25.5 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -45.27 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.55 -33.45 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.71 -31.87 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.099 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -159.91 88.8 1.91 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.93 158.55 50.78 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.5 2.133 . . . . 0.0 112.31 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -64.89 159.43 46.06 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.99 126.88 43.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.62 -30.35 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.67 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.39 148.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.207 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.1 t -131.76 144.67 51.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.514 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.96 115.85 0.7 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.776 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.82 151.19 17.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.376 0.132 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.14 114.83 3.17 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.34 2.027 . . . . 0.0 112.234 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -101.08 -75.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -102.12 -44.3 5.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -66.75 145.91 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.7 -173.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 tt -56.37 -27.73 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -59.32 -62.27 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.128 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.46 HE21 HG22 ' A' ' 56' ' ' VAL . 37.9 mt-30 -99.05 134.94 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.062 0.458 . . . . 0.0 111.182 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -112.44 150.93 30.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.248 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.88 108.87 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.23 149.31 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.622 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -128.97 121.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.414 HD13 HD13 ' A' ' 55' ' ' LEU . 67.7 mt -110.59 133.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.644 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 39.3 m-85 -104.02 133.81 48.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.627 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.83 141.49 44.84 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HG3' ' HB2' ' A' ' 114' ' ' ASP . 29.9 Cg_endo -63.1 -177.74 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.395 2.063 . . . . 0.0 112.169 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -87.23 163.25 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.749 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.2 21.47 56.63 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.659 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -126.51 155.76 74.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.472 0.136 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.88 -2.97 10.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.183 1.922 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.85 -7.36 22.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.656 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.11 -29.27 68.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.83 -33.86 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.432 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.64 176.33 34.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.087 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.1 p -136.69 143.78 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 0.0 110.741 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 58.3 m-85 -123.82 145.16 49.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 111.32 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -120.14 136.5 54.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.496 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.68 164.46 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.491 -179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG22 HE21 ' A' ' 35' ' ' GLN . 7.1 p -122.8 138.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.4 mp -107.43 110.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.59 139.24 36.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.657 ' HD1' ' CD2' ' A' ' 59' ' ' PHE . 88.4 m-85 -114.0 138.91 49.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.572 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -108.25 124.39 50.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.36 94.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.62 -78.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.73 154.25 58.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.81 -7.88 20.84 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.391 2.06 . . . . 0.0 112.409 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -119.97 9.72 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -82.25 131.77 55.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.73 135.3 66.8 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.306 2.004 . . . . 0.0 112.316 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.33 -179.39 5.36 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.454 2.102 . . . . 0.0 112.505 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.01 114.38 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.9 p -127.1 144.6 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -156.87 149.93 23.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.6 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 53.2 m-85 -71.01 144.65 50.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.89 -37.97 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -94.73 177.49 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.983 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 11.3 mmpt? -72.53 135.68 45.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.78 160.73 42.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 77' ' ' PHE . 57.3 t80 -138.89 115.96 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -129.92 157.79 75.8 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.95 -25.32 79.21 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.507 2.138 . . . . 0.0 112.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -135.24 119.45 17.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.25 147.84 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.54 -171.86 3.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.14 11.51 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.02 80.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.415 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -65.4 152.95 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.7 0.285 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.7 mp -92.68 139.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.8 t -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -145.65 139.59 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' H ' HD11 ' A' ' 89' ' ' LEU . 7.2 m-20 -61.55 -25.86 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.506 ' H ' HD13 ' A' ' 89' ' ' LEU . 18.9 tt -69.42 -21.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.71 -18.09 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.42 -163.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.797 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.37 -4.16 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -75.99 -13.89 60.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -58.27 145.12 38.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.5 m -137.4 147.27 57.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.606 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.43 -5.43 17.11 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.356 2.037 . . . . 0.0 112.554 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -76.42 -35.13 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.643 ' HE2' ' CE1' ' A' ' 100' ' ' TYR . 74.5 m-85 -68.32 178.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.68 177.74 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.444 HG13 ' HB3' ' A' ' 12' ' ' ASP . 9.0 p -61.11 -21.98 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.697 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.3 t -68.74 -33.66 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -68.43 -50.25 54.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.391 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -34.37 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.272 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.68 -43.43 97.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.4 p -74.49 -27.29 60.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -61.19 -36.1 78.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.39 -40.15 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -61.81 -42.7 99.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.8 tm? -58.62 -39.38 80.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.341 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.04 -44.23 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.428 ' HB2' ' HG3' ' A' ' 43' ' ' PRO . 17.3 t70 -57.22 -52.61 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.159 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.52 115.9 1.41 Allowed Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.18 -173.38 1.73 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.472 2.115 . . . . 0.0 112.352 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.472 HD21 ' N ' ' A' ' 117' ' ' ASN . 0.9 OUTLIER -105.06 105.04 50.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.927 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -76.69 21.37 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.479 2.12 . . . . 0.0 112.636 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.436 HD21 ' HB3' ' A' ' 117' ' ' ASN . 32.8 m-80 -83.49 -37.08 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.6 t -140.35 85.53 13.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 134.14 44.09 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.551 2.167 . . . . 0.0 112.326 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.97 -41.6 9.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.26 111.9 24.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 p -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.561 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.08 -53.08 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.488 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.38 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.8 76.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.668 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.63 -48.97 62.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.576 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.597 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 85.6 t80 -63.32 -35.61 80.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -98.99 -12.87 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.501 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -97.06 -76.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -114.3 102.53 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.73 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -69.55 -28.97 66.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.421 ' HB3' ' ND2' ' A' ' 133' ' ' ASN . 52.5 ttp180 -61.74 -33.63 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.289 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.72 -28.1 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.355 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -74.38 -49.69 21.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.77 -45.16 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.376 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -58.39 -33.14 69.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.32 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 140' ' ' ARG . 3.6 mmp_? -71.69 -35.06 70.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.25 -50.97 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.3 t -68.14 -30.3 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -56.12 12.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 40.2 pt -59.22 -32.99 49.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.752 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.83 -38.33 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.97 -42.99 95.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.13 -34.85 77.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.7 t -99.63 15.14 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.8 114.18 25.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.818 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -104.86 131.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -110.57 166.77 10.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.824 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -154.08 137.44 15.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -116.58 156.05 48.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.347 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.98 -33.69 62.02 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.585 2.19 . . . . 0.0 112.279 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.68 86.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' MET . 79.9 ttt180 -63.35 -53.64 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.88 -39.39 91.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.435 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 29.2 mmt180 -63.57 -50.64 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -65.1 -30.81 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 74.2 mtp -60.27 -31.18 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -67.16 -30.41 70.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.421 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.31 -30.7 71.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.615 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 26.6 t80 -64.17 -49.92 70.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -36.62 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.125 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -68.72 -32.04 71.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.2 -46.77 88.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.85 -34.86 73.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.43 -50.66 72.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -140.31 80.53 19.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.689 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 33.8 Cg_endo -64.37 139.85 67.21 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.551 2.167 . . . . 0.0 112.292 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HG3' ' HB3' ' A' ' 103' ' ' SER . 23.3 Cg_exo -64.36 145.97 89.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.456 2.104 . . . . 0.0 112.145 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.31 135.17 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.13 -17.67 49.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.678 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.496 ' HB ' HD13 ' A' ' 106' ' ' LEU . 31.4 m -141.27 144.88 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 111.55 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 26' ' ' GLY . 46.9 t -123.46 156.33 35.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.352 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' N ' ' HG ' ' A' ' 25' ' ' SER . . . -171.92 98.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.673 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.54 152.66 27.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.471 0.177 . . . . 0.0 111.063 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.31 110.23 2.61 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.475 2.117 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 t -86.85 -79.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -116.48 -15.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -78.08 146.9 34.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.33 178.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.791 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 9' ' ' LEU . 9.0 tp -62.39 -32.57 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.58 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -77.85 1.89 18.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.579 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HG3' HG23 ' A' ' 56' ' ' VAL . 45.8 tt0 -144.06 112.1 6.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 111.03 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.421 ' O ' HG22 ' A' ' 56' ' ' VAL . 19.6 m0 -108.44 152.78 24.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -102.89 112.67 25.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB2' HD12 ' A' ' 106' ' ' LEU . . . -127.83 149.99 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.436 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 4.8 p -137.2 121.33 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 ' HA ' HG13 ' A' ' 24' ' ' VAL . 72.1 mt -104.78 126.54 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.325 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 4.5 m-85 -93.58 137.28 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.58 136.45 41.88 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.89 137.22 29.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.68 112.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.85 -6.74 6.14 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 59.3 p -115.56 158.35 41.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.29 0.09 . . . . 0.0 110.817 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 32.3 Cg_endo -64.51 -1.19 3.64 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.234 1.956 . . . . 0.0 112.548 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.63 -13.88 16.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -20.72 65.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.38 -27.26 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.39 -169.15 12.86 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.828 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.3 p -132.24 166.94 20.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.71 0.29 . . . . 0.0 110.69 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -144.01 139.05 28.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 65.7 mttm -118.0 123.25 45.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.25 163.49 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.24 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 36' ' ' TRP . 7.2 p -117.05 141.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 57' ' ' ILE . 3.8 mp -112.14 109.78 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.69 132.59 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.614 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 91.2 m-85 -109.74 151.15 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -101.56 145.19 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.75 11.87 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.45 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.004 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.534 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 82.6 m-85 -147.11 154.37 46.28 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 57.3 Cg_endo -71.75 4.38 3.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.473 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -113.99 -17.05 12.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.026 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.534 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 45.2 mmtm -64.9 153.86 87.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.37 114.01 2.89 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.51 2.14 . . . . 0.0 112.201 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.05 179.63 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.465 2.11 . . . . 0.0 112.608 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.15 136.76 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.34 138.69 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -152.93 140.13 19.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.35 154.93 36.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -111.77 -38.13 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -87.12 24.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 62.56 162.65 0.09 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -162.61 164.2 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.636 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 30.9 t80 -141.36 107.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -129.16 155.98 79.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.55 -25.97 80.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.53 2.154 . . . . 0.0 112.047 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.532 HD21 ' HG2' ' A' ' 118' ' ' PRO . 71.7 m-20 -133.01 118.28 18.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.53 151.32 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.688 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.65 ' HE2' ' CE1' ' A' ' 82' ' ' TYR . 88.0 m-85 -85.63 161.78 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.75 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.41 -13.58 59.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.12 1.6 62.79 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -65.52 152.66 43.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 87' ' ' ILE . 4.2 mp -82.73 135.56 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 79.2 m -78.59 101.67 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.431 HD11 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -143.99 143.43 31.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' H ' HD11 ' A' ' 89' ' ' LEU . 13.5 m-20 -76.36 -23.28 54.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 HD12 ' HG ' ' A' ' 104' ' ' SER . 16.3 tt -69.63 -22.6 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.17 -10.3 47.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.92 -158.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.86 -12.28 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -74.17 -10.76 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.058 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -57.8 134.91 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.2 m -122.68 145.93 46.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.17 -1.14 9.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.658 2.238 . . . . 0.0 112.603 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 t -80.51 -26.04 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.564 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -75.67 -179.02 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.65 -173.71 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.26 -25.14 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB3' ' HG3' ' A' ' 21' ' ' PRO . 54.8 m -71.04 -32.47 69.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.223 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.415 ' HG ' HD12 ' A' ' 91' ' ' ILE . 48.2 t -62.36 -51.89 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.518 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.62 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.156 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.496 HD13 ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -62.7 -52.67 62.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.9 p -71.85 -27.45 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.511 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.0 m -58.07 -48.61 79.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.6 -36.88 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.01 -32.91 73.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.719 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.0 m -64.43 -29.63 70.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.25 -24.11 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.52 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.24 -44.7 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.822 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.9 -36.6 59.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.296 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.65 99.41 24.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -48.69 -23.7 5.88 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.759 2.306 . . . . 0.0 112.798 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -128.96 103.06 18.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.767 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.532 ' HG2' HD21 ' A' ' 80' ' ' ASN . 93.4 Cg_endo -86.62 14.66 2.38 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.621 2.214 . . . . 0.0 112.038 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 61.37 171.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.801 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t 55.72 87.97 0.13 Allowed Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.79 124.07 13.43 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.532 2.154 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -106.52 -37.45 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -111.12 108.36 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.5 m -69.68 -30.73 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.19 -52.29 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 111.156 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.12 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.42 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.65 -34.97 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -73.13 -44.67 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.65 -27.51 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.89 -39.4 93.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.69 -10.28 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.171 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.5 -80.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -116.57 98.25 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -69.35 -23.37 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.24 -35.49 79.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -74.63 -27.31 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.665 ' HD1' ' CD2' ' A' ' 137' ' ' TYR . 54.7 t80 -75.62 -41.58 53.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.272 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.19 -33.68 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.91 -32.1 67.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -73.02 -44.56 60.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.78 -37.18 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.9 p -71.58 -30.48 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -55.91 9.45 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 38.7 pt -56.25 -31.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 31.1 t -79.26 -31.99 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.49 -43.19 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.26 -31.23 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.309 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.0 m -101.06 13.48 35.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.56 169.0 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.598 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -65.2 174.0 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.7 102.75 12.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.795 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.937 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.788 0.327 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -98.74 157.81 16.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.79 165.55 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.927 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.62 -32.24 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.438 2.092 . . . . 0.0 112.178 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.2 -33.73 75.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -66.11 -48.6 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.042 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.76 -33.8 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.677 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -63.9 -46.4 85.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.113 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.46 -28.79 63.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.54 -39.6 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -73.33 -31.69 64.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.031 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.6 -40.08 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.267 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -68.55 -32.46 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.019 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.48 -39.82 77.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -79.84 -25.46 40.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD13 ' HB ' ' A' ' 102' ' ' VAL . 8.0 tt -69.48 -43.36 73.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.344 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.96 -30.08 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.359 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -64.82 -51.05 64.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.802 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.04 82.87 8.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.51 158.15 47.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.497 2.132 . . . . 0.0 112.294 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.12 157.66 56.19 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.485 2.124 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.28 141.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.63 -23.19 7.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 40' ' ' ILE . 19.1 m -140.09 158.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.9 t -141.48 144.41 34.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.13 117.31 0.86 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.57 151.5 15.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.502 0.192 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.8 115.1 3.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.494 2.129 . . . . 0.0 112.345 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 m -99.78 -71.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -82.67 -63.79 1.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.477 HD22 ' HB2' ' A' ' 34' ' ' MET . 2.6 t30 -65.39 146.53 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.53 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.0 tt -123.9 -27.69 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.477 ' HB2' HD22 ' A' ' 31' ' ' ASN . 1.6 mpt? -51.83 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -89.42 143.82 26.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -119.88 144.02 47.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.284 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.82 113.1 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.85 149.88 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.305 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -128.23 128.71 68.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.491 ' HA ' HG13 ' A' ' 24' ' ' VAL . 77.1 mt -116.51 125.72 73.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -98.23 140.42 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.59 139.61 48.08 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.703 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' HD13 ' A' ' 113' ' ' LEU . 69.3 Cg_endo -74.58 153.18 43.84 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.504 2.136 . . . . 0.0 112.398 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.21 115.6 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.17 16.78 5.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -135.76 157.43 76.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.416 0.15 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.77 0.6 3.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.599 2.199 . . . . 0.0 112.18 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.601 ' HD1' ' CD2' ' A' ' 48' ' ' PHE . 22.6 m-85 -107.12 -8.8 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.61 -28.26 65.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.02 -20.74 30.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.483 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -108.29 178.74 21.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.876 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.2 p -135.31 146.43 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.596 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 56.3 m-85 -129.47 149.63 51.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -126.84 138.99 53.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.91 164.32 29.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.07 137.49 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.879 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.0 mp -108.99 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -91.62 125.05 36.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.99 146.53 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 62' ' ' GLU . 61.9 m -112.99 134.13 54.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.42 11.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.625 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 60' ' ' SER . 14.6 mm-40 -57.2 -80.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.257 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 97.3 m-85 -141.48 155.58 67.19 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.26 -9.73 26.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.51 2.14 . . . . 0.0 112.313 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -110.07 -14.32 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.76 130.81 85.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.42 135.14 64.74 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.392 2.062 . . . . 0.0 112.482 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.57 174.29 12.0 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.496 2.13 . . . . 0.0 112.33 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 140.66 50.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.09 143.79 17.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -158.62 144.21 16.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.038 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.57 142.3 50.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -79.81 -32.72 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 m -97.06 155.01 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 17.2 tptp -71.26 115.9 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.3 ttp -124.16 143.79 50.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.018 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 71.2 t80 -103.41 110.58 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -130.47 138.74 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -46.65 -29.02 7.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.93 2.42 . . . . 0.0 112.911 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.3 m120 -131.57 118.57 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.25 156.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.656 ' HD1' ' CD2' ' A' ' 82' ' ' TYR . 85.4 m-85 -96.78 171.85 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.76 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.7 -3.75 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.91 75.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.406 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.6 m -70.56 -178.29 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.658 0.266 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.401 HD13 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -120.47 138.41 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.47 93.78 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.17 150.09 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.1 -8.39 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.3 tt -73.07 -16.9 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.193 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.51 -8.42 59.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -85.17 -155.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -62.86 -11.74 20.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.31 -8.3 57.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -62.06 140.32 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.5 m -123.44 146.55 50.04 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.11 -30.79 8.45 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.412 2.075 . . . . 0.0 112.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 30.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.723 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -55.18 169.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -137.2 147.14 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.48 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.408 ' HB ' HD13 ' A' ' 16' ' ' LEU . 60.2 t -56.89 -31.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.86 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.5 t -65.35 -46.6 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.11 -30.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.739 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.64 -49.29 26.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -64.29 -27.74 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -66.69 -46.07 76.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -72.95 -36.14 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.45 -36.67 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.055 0.455 . . . . 0.0 110.595 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.7 m -68.93 -29.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.83 -28.51 64.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.772 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.407 HD13 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -75.39 -44.02 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.401 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.81 -66.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.887 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 7.4 pt-20 -128.77 98.28 25.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 115' ' ' GLU . 19.3 Cg_endo -60.9 162.68 18.21 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.304 2.003 . . . . 0.0 112.166 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -98.19 121.01 58.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.941 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.6 25.85 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.541 2.161 . . . . 0.0 112.678 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -68.39 -164.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.4 t -54.62 112.17 3.7 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.67 138.61 85.74 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.575 2.183 . . . . 0.0 112.668 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -94.77 -29.52 14.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.805 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -121.3 118.53 29.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.372 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -69.8 -49.55 51.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.543 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -61.47 -47.87 83.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.53 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.52 -49.67 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.628 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.36 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.421 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.17 -32.33 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.335 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.99 -27.15 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.12 -28.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.38 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.62 -43.71 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.28 -78.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -112.76 91.29 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -66.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -32.51 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.31 -27.23 61.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.608 ' HE2' ' CE1' ' A' ' 137' ' ' TYR . 80.8 t80 -74.09 -50.5 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.45 -35.94 75.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -67.81 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -71.67 -33.36 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.93 -48.48 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.345 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.5 m -66.65 -30.42 70.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.35 3.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -56.6 -31.96 35.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.784 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.402 HG11 ' HA3' ' A' ' 51' ' ' GLY . 41.5 t -72.44 -46.28 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.57 -34.22 76.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.662 0.268 . . . . 0.0 111.384 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.33 -45.41 80.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.4 m -95.21 13.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -73.18 -60.61 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.62 135.15 33.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.29 -19.81 13.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.982 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.696 0.284 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -145.93 165.59 20.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.105 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 9.8 Cg_endo -79.21 -32.48 1.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.329 2.019 . . . . 0.0 111.997 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.499 ' H ' HG22 ' A' ' 3' ' ' THR . . . -62.54 -34.08 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.105 0.478 . . . . 0.0 110.299 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -66.45 -50.71 62.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.971 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' HE ' ' HA ' ' A' ' 4' ' ' PRO . 83.9 mtm180 -59.95 -34.4 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' HG2' ' HB3' ' A' ' 64' ' ' PRO . 23.7 tpp180 -59.46 -49.83 76.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' HB2' HD12 ' A' ' 33' ' ' ILE . 96.1 mt -56.23 -36.28 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtt -66.73 -36.25 82.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 HH11 ' HZ2' ' A' ' 14' ' ' LYS . 32.3 mmt180 -66.24 -33.05 74.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.631 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.99 -30.58 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -69.95 -50.29 43.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.222 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HZ2' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -61.85 -32.26 72.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -79.49 -25.46 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -73.44 -44.44 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.55 -40.47 95.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.578 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.56 -21.32 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.37 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -170.77 85.16 0.52 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.386 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.98 162.53 26.27 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.618 2.212 . . . . 0.0 112.281 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.3 142.11 26.59 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.489 2.126 . . . . 0.0 112.15 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.32 128.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.96 -23.68 30.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.658 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.413 HG13 HG21 ' A' ' 40' ' ' ILE . 20.0 m -140.59 139.51 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.695 0.284 . . . . 0.0 111.35 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -115.19 142.39 46.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.41 90.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.585 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.32 155.25 61.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.47 0.176 . . . . 0.0 111.062 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.39 120.06 6.95 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.379 2.052 . . . . 0.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 m -115.98 93.96 4.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.52 -4.49 0.56 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -95.47 146.12 24.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.92 163.37 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 9' ' ' LEU . 19.5 tt -57.45 -22.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.31 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.87 132.33 37.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -119.59 153.08 36.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -103.68 129.16 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.99 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.25 150.8 35.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.0 111.692 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG21 ' HG2' ' A' ' 54' ' ' LYS . 7.3 p -136.36 134.5 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.739 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.413 HG21 HG13 ' A' ' 24' ' ' VAL . 83.1 mt -117.54 130.14 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -97.78 133.91 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.96 149.02 22.55 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' HD13 ' A' ' 113' ' ' LEU . 52.3 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.465 2.11 . . . . 0.0 112.403 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.14 120.59 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.4 14.49 12.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.3 p -127.05 158.19 69.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.983 -0.128 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HB2' HG12 ' A' ' 141' ' ' VAL . 44.1 Cg_endo -68.19 3.7 1.94 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.39 2.06 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.661 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 25.5 m-85 -109.2 -10.54 14.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.17 -28.86 63.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.96 -27.31 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.382 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.42 174.11 29.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.901 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.6 p -133.26 129.81 38.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 73.9 m-85 -115.37 135.97 53.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.19 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 39' ' ' VAL . 8.6 mtmm -111.88 147.61 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -145.02 164.38 31.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.349 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.0 139.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.983 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.06 115.96 51.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -101.68 138.47 38.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 97.8 m-85 -116.6 155.88 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -103.89 134.32 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.683 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.89 -8.14 26.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.366 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.33 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.785 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -148.13 148.88 30.88 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HB3' ' HG2' ' A' ' 8' ' ' ARG . 23.2 Cg_exo -64.39 -15.87 52.05 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.564 2.176 . . . . 0.0 112.541 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.22 -25.07 20.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.519 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.2 147.54 17.76 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.9 110.22 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.435 2.09 . . . . 0.0 112.36 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.4 160.43 45.55 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.408 2.072 . . . . 0.0 112.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 m -122.4 118.15 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 87' ' ' ILE . 9.4 p -136.77 141.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -156.94 153.53 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' A' ' 72' ' ' PHE . 23.2 m-85 -77.99 141.66 38.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.0 -36.38 30.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.275 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -86.01 171.67 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.747 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -94.17 119.09 32.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.047 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.1 ptm -128.92 162.89 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 1.617 ' HD1' ' CD2' ' A' ' 77' ' ' PHE . 58.0 t80 -118.52 108.05 14.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.593 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -119.1 138.15 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.18 -24.24 14.61 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.591 2.194 . . . . 0.0 112.321 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -140.38 118.31 11.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 ' N ' ' HB1' ' A' ' 122' ' ' ALA . 7.5 p -154.76 158.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -86.02 176.83 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.26 69.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.383 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.47 -14.19 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.57 10.98 34.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.614 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -65.18 160.27 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD11 HG11 ' A' ' 70' ' ' VAL . 4.7 mp -96.11 143.0 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.79 110.28 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.492 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -144.77 143.98 30.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.756 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.62 -24.51 62.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' H ' HD13 ' A' ' 89' ' ' LEU . 15.3 tt -69.88 -22.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -70.82 -29.23 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.044 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.45 -163.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -64.77 -4.89 4.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.306 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.9 -6.41 44.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.59 141.27 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.7 m -129.02 150.02 74.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.03 12.79 2.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.54 2.16 . . . . 0.0 112.703 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.6 p -97.92 -16.47 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.668 ' HD1' ' CD2' ' A' ' 100' ' ' TYR . 96.8 m-85 -90.11 160.32 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -107.7 -172.81 2.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.79 -22.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -70.37 -32.61 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.6 t -57.12 -51.64 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.204 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -27.96 34.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.91 -46.3 85.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -74.63 -28.79 61.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.542 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.0 m -57.03 -48.64 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.225 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.32 -38.04 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.77 -35.2 77.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.4 t -70.84 -29.32 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.017 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.74 -26.89 64.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.401 HD13 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -76.3 -41.34 48.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.97 -62.15 2.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.931 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -142.18 100.54 5.83 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.36 -169.97 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.434 2.089 . . . . 0.0 112.468 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -106.97 115.98 59.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.46 5.17 5.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.236 1.957 . . . . 0.0 112.247 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -108.22 123.81 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.6 m 56.37 87.21 0.15 Allowed Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.239 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.1 160.34 33.27 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.526 2.151 . . . . 0.0 112.211 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' HB1' ' N ' ' A' ' 81' ' ' VAL . . . -104.49 -16.66 15.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.403 ' HB3' ' HB1' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -134.58 100.44 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.43 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 76.0 p -66.44 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.46 -50.84 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 123' ' ' ASN . . . -56.43 -47.12 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.3 75.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.483 HE21 ' HG2' ' A' ' 132' ' ' GLU . 22.1 tp60 -60.56 -51.33 69.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.11 -30.94 70.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.361 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.649 ' HD2' ' CD1' ' A' ' 130' ' ' TYR . 77.9 t80 -57.35 -33.7 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.82 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.08 -15.07 15.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.483 ' HG2' HE21 ' A' ' 128' ' ' GLN . 20.1 mm-40 -96.34 -76.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -102.47 83.68 2.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.08 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.59 ' HZ1' ' HB3' ' A' ' 134' ' ' LYS . 8.1 mtpm? -66.41 -27.54 67.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -70.38 -30.68 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.407 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -79.08 -27.69 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -74.88 -45.55 42.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.47 -51.92 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.173 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -57.07 -31.99 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.55 -35.84 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.079 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 47' ' ' PRO . 60.4 t -60.04 -46.78 93.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.0 t -70.59 -30.22 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.283 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.55 -57.46 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.61 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 145' ' ' VAL . 35.6 pt -59.21 -40.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 144' ' ' ILE . 74.2 t -64.47 -48.27 85.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.431 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.01 -35.84 59.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.661 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -64.33 -43.39 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.9 t -98.95 15.71 24.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -90.01 -10.11 46.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 150' ' ' ASN . 0.1 OUTLIER -149.22 -3.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 21.9 t70 61.04 13.59 4.73 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.397 -0.811 . . . . 0.0 111.257 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -169.52 138.74 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -137.29 155.0 75.96 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.22 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.56 -29.67 90.48 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.654 2.236 . . . . 0.0 112.444 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.89 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.65 -52.98 62.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.83 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.357 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -36.32 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 55.2 mtt -57.28 -39.5 75.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.826 0.346 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -59.89 -30.21 68.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 27.1 t80 -62.55 -48.47 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -55.42 -40.83 71.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 0.0 109.937 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -63.44 -31.7 72.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.022 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.24 -42.26 84.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.7 -39.52 80.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.235 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.19 -35.06 78.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.148 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -163.39 89.25 1.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.538 ' HA ' HD11 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -65.81 157.04 61.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.189 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HG3' HD13 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -59.64 154.09 51.12 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 112.053 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.99 137.49 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.78 -22.63 8.83 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.381 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' ' 40' ' ' ILE . 18.9 m -139.7 167.9 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 p -146.66 133.92 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.488 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -143.93 111.17 0.61 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.6 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.56 154.27 22.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.62 109.56 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.324 2.016 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.3 p -70.61 -62.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.73 -33.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -62.81 146.75 51.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.669 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.464 ' ND2' ' H ' ' A' ' 33' ' ' ILE . 3.1 t-20 -48.29 167.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 19.5 tt -58.08 -18.69 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.741 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.8 mtp -74.72 -2.45 26.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.338 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -147.32 115.42 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.69 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -111.17 139.42 46.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.28 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -104.05 124.34 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.22 150.17 48.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 0.0 111.646 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -119.8 109.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.49 ' HA ' HG13 ' A' ' 24' ' ' VAL . 61.8 mt -103.83 134.11 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -105.06 130.74 53.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.25 144.34 42.75 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.49 155.6 59.39 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.417 2.078 . . . . 0.0 112.367 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.09 118.56 14.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.52 16.61 6.42 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -131.54 159.52 71.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.318 0.104 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.83 2.95 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.201 1.934 . . . . 0.0 112.412 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.609 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 17.9 m-85 -107.7 -7.23 16.46 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.93 -31.56 72.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.495 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.5 2.49 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.552 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' HA3' HG11 ' A' ' 145' ' ' VAL . . . -139.54 179.83 18.37 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -131.18 161.02 33.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.627 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 74.2 m-85 -139.81 159.33 42.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.219 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -135.05 134.9 40.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.685 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.38 164.13 29.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.313 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 p -119.72 134.41 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.0 mp -107.54 110.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.69 144.5 25.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 59' ' ' PHE . 97.8 m-85 -121.93 133.07 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -96.47 140.83 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.96 9.39 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.67 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -144.17 154.05 57.19 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.92 -19.61 64.05 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.45 2.1 . . . . 0.0 111.958 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -95.74 -15.86 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.541 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 51.8 tptt -60.79 128.93 89.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.541 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 24.5 Cg_endo -61.72 115.8 3.02 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.295 1.997 . . . . 0.0 112.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.69 178.85 0.6 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.365 2.043 . . . . 0.0 112.247 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 m -125.32 120.36 30.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -128.69 146.05 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -160.89 150.85 17.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.8 136.18 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.17 -45.06 16.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -86.1 169.86 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -57.94 135.63 56.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -145.7 160.25 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.072 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -148.9 111.37 4.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -131.73 156.03 80.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.76 -22.68 74.11 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.398 2.065 . . . . 0.0 112.316 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 15.5 m120 -130.93 118.35 20.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 123' ' ' ASN . 9.2 p -154.83 161.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.655 ' HE1' ' CE2' ' A' ' 82' ' ' TYR . 93.8 m-85 -103.66 172.02 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.868 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.99 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.61 -11.77 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.5 1.64 60.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.695 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -65.96 169.74 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 87' ' ' ILE . 3.2 mp -105.0 149.65 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.57 104.74 15.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.631 ' HB3' HG23 ' A' ' 91' ' ' ILE . 8.4 mp -119.98 126.48 50.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.33 -18.72 61.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.285 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 89' ' ' LEU . 18.8 tt -70.28 -24.27 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.738 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.2 -20.37 51.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -71.26 -160.82 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.83 -10.2 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -82.14 9.25 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 56.7 t-105 -80.75 145.93 31.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 t -137.02 145.74 51.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.96 -3.76 8.91 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.355 2.037 . . . . 0.0 112.061 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.2 m -80.58 -46.36 15.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' 100' ' ' TYR . 96.9 m-85 -54.51 143.57 23.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -124.24 -171.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.329 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 62.5 t -56.79 -26.62 24.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.9 m -69.05 -32.36 71.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.4 m -73.19 -48.21 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.075 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -37.99 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.664 0.269 . . . . 0.0 111.515 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.488 HD12 ' HA3' ' A' ' 26' ' ' GLY . 96.9 mt -67.96 -52.01 40.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.6 p -60.96 -27.31 68.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.365 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.9 m -67.22 -48.49 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.6 -39.2 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.26 -46.32 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.5 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -68.77 -29.1 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.69 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.59 -36.86 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 35.4 t70 -57.12 -62.79 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.2 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 39.0 mt-10 -137.3 98.07 10.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.311 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.85 -163.43 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.428 2.085 . . . . 0.0 112.037 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -118.64 104.62 47.05 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.0 15.89 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.584 2.19 . . . . 0.0 112.429 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -81.7 -65.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -105.41 103.7 44.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.25 119.62 6.1 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 0.0 112.526 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -90.72 -28.03 18.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.428 ' HB2' HG11 ' A' ' 81' ' ' VAL . 9.4 t-20 -123.36 100.27 6.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.249 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.0 t -65.22 -31.23 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.003 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.54 -49.72 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 111.626 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.85 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.908 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.84 87.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.595 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.33 -45.65 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -26.93 68.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.599 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 82.8 t80 -53.19 -37.19 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -103.22 -31.49 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.212 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -69.27 -75.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.37 99.56 6.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -69.68 -28.89 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.97 -34.36 77.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.62 -27.53 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -71.88 -48.26 47.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.22 -34.08 74.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.443 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.7 -30.33 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -74.52 -45.13 47.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.98 -33.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.5 p -71.49 -30.67 66.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.38 14.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.4 pt -56.69 -32.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.423 HG11 ' HA3' ' A' ' 51' ' ' GLY . 52.5 t -79.06 -36.63 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.32 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.28 -44.42 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.25 -29.33 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.0 m -104.07 10.01 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -82.91 114.23 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.75 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -154.38 -56.57 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.13 137.26 35.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.094 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -80.11 158.52 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.5 HG21 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -159.99 165.4 17.89 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.04 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -80.2 -31.24 1.78 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.435 2.09 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' HG21 ' A' ' 3' ' ' THR . . . -61.67 -33.84 74.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.37 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HG2' ' HE1' ' A' ' 10' ' ' MET . 37.1 ttm180 -73.1 -40.21 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.736 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -62.55 -40.09 95.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -62.66 -46.14 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.74 -33.73 64.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.443 ' HE1' ' HG2' ' A' ' 6' ' ' ARG . 67.6 mtt -62.01 -41.4 98.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.62 -29.41 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.22 -43.48 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -65.19 -36.33 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.334 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -66.62 -34.53 78.09 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -79.42 -30.06 42.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -62.2 -34.64 76.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.97 -34.97 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.36 -40.74 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.304 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -157.19 86.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.452 ' HA ' HD11 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -66.67 153.34 78.3 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.101 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.35 157.58 39.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.345 2.03 . . . . 0.0 112.229 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.57 143.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.548 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 70.71 -3.75 11.5 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.751 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -157.03 150.5 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -139.4 134.54 32.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.543 ' HA3' HD12 ' A' ' 106' ' ' LEU . . . -139.45 119.52 1.7 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.82 150.88 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.405 0.145 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.14 116.19 4.61 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 112.267 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -97.59 -86.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.86 -19.81 17.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -81.77 145.74 30.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.38 179.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -56.71 -22.24 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.769 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.2 mtp -61.03 -58.98 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -103.78 147.36 27.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.098 0.475 . . . . 0.0 111.26 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -122.23 148.81 44.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.655 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -100.82 107.52 19.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.24 148.39 45.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.87 126.29 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.65 135.15 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.317 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 42.9 m-85 -109.76 128.05 55.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.91 141.54 24.06 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.75 171.7 11.72 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.385 2.057 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.93 120.7 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.15 10.33 13.97 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.587 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.0 p -125.17 157.77 66.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.37 0.129 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HB2' HG12 ' A' ' 141' ' ' VAL . 38.2 Cg_endo -67.07 -1.84 6.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.226 1.951 . . . . 0.0 112.046 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 1.607 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 32.8 m-85 -101.98 -7.86 22.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.857 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.35 -34.27 73.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.07 -2.6 58.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.0 177.24 16.47 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.754 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -136.8 153.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.071 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.629 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 71.4 m-85 -137.97 153.91 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -127.95 151.71 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -156.08 153.92 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.65 147.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.337 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' ILE . 4.4 mp -119.11 112.78 39.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -99.64 124.47 44.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.15 145.78 28.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -98.0 140.54 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.01 1.38 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.19 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.75 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.666 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 66.5 m-85 -148.68 152.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.703 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 15.5 Cg_exo -68.16 -8.36 22.57 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.7 2.267 . . . . 0.0 112.881 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -105.56 -5.01 20.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -72.68 149.86 90.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.847 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.18 111.54 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.624 2.216 . . . . 0.0 112.444 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.5 -176.72 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.422 2.081 . . . . 0.0 112.395 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -131.15 116.17 17.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.39 142.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.136 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -168.14 143.07 3.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 72' ' ' PHE . 44.3 m-85 -71.78 120.99 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.56 -29.38 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.408 . . . . 0.0 110.265 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 p -84.5 169.61 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -78.39 122.58 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.61 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.53 163.7 32.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.474 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -142.08 114.47 8.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.429 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -124.26 156.64 66.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.28 -15.45 49.63 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.512 2.142 . . . . 0.0 112.302 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.554 HD21 ' HB3' ' A' ' 88' ' ' CYS . 2.0 p-10 -147.64 118.26 7.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' N ' ' HB1' ' A' ' 122' ' ' ALA . 12.2 p -154.97 150.42 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.667 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.14 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.71 -15.61 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.672 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.63 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 t -81.36 151.1 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.313 . . . . 0.0 110.793 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.65 133.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.554 ' HB3' HD21 ' A' ' 80' ' ' ASN . 54.1 t -78.19 106.59 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -148.39 141.36 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.604 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' H ' HD11 ' A' ' 89' ' ' LEU . 4.6 p-10 -72.07 -15.73 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.288 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 89' ' ' LEU . 19.7 tt -72.3 -30.72 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.8 mt -75.06 -7.15 52.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -80.78 -162.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -67.25 -4.91 11.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -78.94 -13.5 59.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.105 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 62.7 t-105 -58.95 143.45 48.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 m -134.45 147.26 62.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.06 -2.54 12.17 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.245 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -75.08 -37.55 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 1.598 ' HE2' ' CE1' ' A' ' 100' ' ' TYR . 99.1 m-85 -68.62 169.28 11.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.91 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -120.63 -174.15 2.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.32 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.08 -26.24 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.177 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -69.78 -32.2 70.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -63.97 -51.87 62.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.748 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -33.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.316 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.543 HD12 ' HA3' ' A' ' 26' ' ' GLY . 63.5 mt -67.36 -50.22 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.1 p -64.09 -27.46 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.7 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 p -62.5 -47.82 82.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.49 -39.19 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.548 HE22 ' HA3' ' A' ' 23' ' ' GLY . 53.6 tt0 -58.3 -40.0 80.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -71.67 -29.35 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 112' ' ' LEU . 2.4 tm? -55.31 -34.31 64.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.583 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.58 -42.61 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.767 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.86 -33.62 73.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.045 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -105.57 94.38 8.48 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.88 -17.1 53.6 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.554 HD21 ' H ' ' A' ' 119' ' ' ASN . 0.2 OUTLIER -124.38 103.66 32.2 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.765 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.66 22.92 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.655 2.237 . . . . 0.0 112.023 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.554 ' H ' HD21 ' A' ' 117' ' ' ASN . 2.6 t-20 62.76 11.63 5.06 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.915 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.2 t -166.66 84.85 0.89 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.505 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 56.7 Cg_endo -71.21 154.37 61.81 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.518 2.145 . . . . 0.0 112.47 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 81' ' ' VAL . . . -112.21 -25.55 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -116.77 105.3 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -66.78 -36.64 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.298 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 -47.27 84.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.45 54.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.28 75.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.44 -45.33 84.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.235 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.56 -27.2 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 1.65 ' HE1' ' CE2' ' A' ' 130' ' ' TYR . 80.8 t80 -66.14 -36.38 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.429 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -95.86 -11.69 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.174 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -96.7 -73.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.928 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -123.44 100.75 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.38 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -57.66 -42.56 83.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -35.21 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 1.586 ' HD2' ' CD1' ' A' ' 137' ' ' TYR . 54.0 t80 -67.43 -47.56 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.29 -30.57 70.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -76.17 -31.81 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 47' ' ' PRO . 59.8 t -71.66 -48.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.9 p -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.28 -55.66 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.712 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 47.3 pt -60.12 -32.36 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.767 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.8 t -71.56 -46.39 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.329 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.98 -32.6 73.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.317 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.75 -38.47 73.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.0 t -101.5 15.41 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.68 168.7 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.657 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.14 112.51 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.87 -50.76 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.754 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.873 179.901 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.48 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -80.0 -31.92 1.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.365 2.043 . . . . 0.0 111.857 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 3' ' ' THR . . . -61.82 -33.97 75.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -68.85 -45.53 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.113 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HD3' HH21 ' A' ' 11' ' ' ARG . 42.4 ttm180 -59.03 -42.27 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.039 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -58.95 -44.15 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.17 -29.95 67.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.55 -32.76 64.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.456 HH21 ' HD3' ' A' ' 7' ' ' ARG . 97.5 mtt180 -74.83 -28.37 60.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.745 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.02 -37.63 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.245 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.06 -53.09 62.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.247 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -38.55 83.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.47 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -66.73 -26.7 67.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -71.45 -35.51 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -69.8 -33.69 72.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -64.15 -39.17 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -162.3 84.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.61 155.65 44.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.585 2.19 . . . . 0.0 112.312 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.6 137.57 46.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.376 2.05 . . . . 0.0 112.182 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.41 132.76 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.63 -27.95 17.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.716 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 40' ' ' ILE . 16.9 m -138.65 143.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 111.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.7 m -123.5 141.82 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.94 89.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.581 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.2 53.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.505 0.193 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.56 128.61 12.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.552 2.168 . . . . 0.0 112.28 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 t -96.76 -89.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.7 -36.02 9.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 35' ' ' GLN . 7.1 p30 -60.33 146.18 45.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.791 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.34 176.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.389 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.63 -22.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.391 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -63.63 -61.04 2.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . 35.1 tt0 -91.35 134.33 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -118.43 160.78 21.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.79 110.74 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.287 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.18 149.79 50.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 111.703 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.99 136.69 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 82.6 mt -121.7 129.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.089 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.46 145.31 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.592 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.34 142.38 42.77 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HD3' HD12 ' A' ' 113' ' ' LEU . 29.4 Cg_endo -62.5 173.98 3.12 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.48 2.12 . . . . 0.0 112.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.59 129.83 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.26 26.44 23.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.5 p -135.25 158.49 74.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.396 0.141 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HB2' HG11 ' A' ' 141' ' ' VAL . 17.0 Cg_exo -66.73 -1.42 5.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.444 2.096 . . . . 0.0 112.249 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.2 -9.91 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.65 -39.27 67.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.988 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.35 -21.61 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.88 169.23 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.987 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -132.85 137.1 46.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -133.01 133.51 43.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 54' ' ' LYS . 10.9 mptt -114.32 139.82 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.134 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.77 155.72 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.94 141.67 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.509 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.33 109.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.587 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.5 123.78 33.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -100.71 163.86 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.9 p -127.78 151.99 48.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.64 9.48 9.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -60.63 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 66' ' ' LYS . 99.0 m-85 -144.27 152.55 54.35 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.43 -12.64 34.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.599 2.199 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -117.42 4.8 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 63' ' ' TYR . 23.2 tptm -74.44 130.88 81.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.02 109.15 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.478 2.118 . . . . 0.0 112.396 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.0 -172.0 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.424 2.083 . . . . 0.0 112.524 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.6 m -130.79 135.03 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.4 146.8 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -162.9 148.18 11.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -75.21 139.76 42.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.74 -31.65 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.803 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 m -96.09 124.33 40.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.76 109.17 5.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' A' ' 144' ' ' ILE . 25.8 mmt -133.91 163.94 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.187 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.515 ' H ' HG21 ' A' ' 144' ' ' ILE . 45.3 t80 -85.01 129.26 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -135.67 157.46 76.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 30.8 Cg_endo -62.96 -28.54 75.14 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.616 2.211 . . . . 0.0 112.23 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -147.72 119.62 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -153.55 146.51 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -87.11 172.53 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.69 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -88.46 -11.2 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.74 -0.29 60.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 m -66.6 167.02 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.781 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.1 mp -105.34 143.52 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.26 153.95 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -63.15 -22.95 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.6 mt -71.69 -33.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.06 -25.39 63.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -82.98 -169.26 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.18 -0.21 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -72.3 -11.44 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.058 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -61.23 127.24 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 m -99.0 138.43 20.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.42 2.6 7.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.437 2.091 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.7 m -81.55 -39.98 23.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -75.92 174.2 10.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.06 -175.74 2.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.208 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.14 -27.77 42.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -56.23 -32.67 64.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -61.22 -35.4 77.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -32.44 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.723 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.33 -43.98 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.7 p -73.9 -27.28 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -60.5 -47.46 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.9 mt -72.52 -34.77 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -57.88 -43.99 86.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -70.24 -29.64 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 112' ' ' LEU . 2.1 tm? -58.21 -38.54 76.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.145 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' HD3' ' A' ' 43' ' ' PRO . 2.7 mt -59.76 -43.2 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.9 -53.66 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.43 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.153 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo . . . . . 0 N--CA 1.465 -0.201 0 CA-C-O 120.819 0.258 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.19 -41.8 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -112.06 93.3 4.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -64.55 -27.4 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.783 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.61 -48.2 82.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.245 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -72.92 -46.99 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.27 64.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.263 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.96 -50.57 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.33 -27.01 61.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -61.66 -34.7 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -104.01 -11.49 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.69 -73.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -121.49 106.17 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.4 -27.47 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.794 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -29.72 67.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -81.42 -28.94 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -78.9 -45.64 20.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.404 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.18 -40.11 76.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.273 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.43 -32.37 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.66 -30.56 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 47' ' ' PRO . 87.3 t -72.83 -54.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.507 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.0 m -62.65 -30.38 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.06 -53.55 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.574 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.515 HG21 ' H ' ' A' ' 77' ' ' PHE . 45.3 pt -64.19 -35.46 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.621 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.59 -38.93 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -36.16 72.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.41 -40.16 95.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.433 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.4 t -105.38 16.6 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.127 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 4.3 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.862 -179.697 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.588 0.232 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.57 -31.48 60.09 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.75 2.3 . . . . 0.0 112.544 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . . . -71.64 -43.87 65.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.4 -30.04 70.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 41.7 mmt180 -70.57 -35.96 73.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -71.0 -30.76 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.15 -43.54 98.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.358 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 7' ' ' ARG . 70.4 mtm -57.92 -31.9 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.719 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HD2' ' HE3' ' A' ' 14' ' ' LYS . 20.0 mmm180 -72.57 -33.26 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.2 -35.59 78.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -60.59 -50.13 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' HE3' ' HD2' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -63.6 -37.61 87.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.194 0.521 . . . . 0.0 109.978 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -63.8 -27.69 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -75.66 -51.36 12.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.631 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -61.07 -28.23 68.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.802 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.27 -22.89 35.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -165.7 81.42 1.12 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.45 151.42 15.32 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.693 2.262 . . . . 0.0 112.128 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.7 133.06 21.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.29 1.993 . . . . 0.0 112.017 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 135.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 111.261 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.97 -18.62 56.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -144.85 164.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.806 0.336 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -144.22 151.14 39.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.86 88.23 0.11 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.689 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.86 154.22 70.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.11 106.9 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -86.26 -83.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -105.42 -21.39 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -76.19 145.63 39.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -63.31 -172.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.48 -28.65 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.23 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.514 ' HG3' ' H ' ' A' ' 35' ' ' GLN . 6.2 ptt? -62.15 -62.95 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' H ' ' HG3' ' A' ' 34' ' ' MET . 6.4 mp0 -95.05 143.03 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -123.28 147.43 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.626 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -100.43 114.4 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.89 149.18 51.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.318 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.3 t -133.47 132.48 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -117.58 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -100.61 140.71 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.24 142.35 42.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.34 160.56 30.71 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.471 2.114 . . . . 0.0 112.006 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.6 116.23 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.02 6.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 70.0 p -135.56 159.49 71.32 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.313 0.102 . . . . 0.0 110.937 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 36.2 Cg_endo -65.45 0.09 3.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.266 1.977 . . . . 0.0 112.388 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -103.35 -13.85 16.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -28.2 64.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.923 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.09 -23.34 28.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.1 172.57 28.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.753 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -137.01 116.41 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -101.05 159.91 14.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -139.72 150.72 45.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.625 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD23 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -154.74 159.48 40.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.187 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -116.9 149.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -122.92 110.22 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.742 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.82 123.87 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.17 152.85 20.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.5 p -115.39 149.05 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 12.2 pt-20 -83.08 10.2 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.35 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -142.84 154.52 62.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 4.4 2.63 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.392 2.061 . . . . 0.0 112.511 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -131.76 1.17 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.5 tmtt? -65.25 136.67 96.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 85.8 Cg_exo -46.06 119.04 2.69 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.455 2.103 . . . . 0.0 112.608 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.56 -177.27 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.431 2.088 . . . . 0.0 112.7 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -131.13 114.95 15.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 109' ' ' ILE . 67.3 t -134.01 139.91 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.406 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -171.31 138.28 1.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.32 125.94 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.82 -31.16 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.575 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -94.73 156.04 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.694 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.83 126.29 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.17 164.33 30.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.17 126.52 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -138.36 155.38 73.99 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.53 -16.57 36.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.441 2.094 . . . . 0.0 112.177 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -145.85 119.03 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -154.41 152.04 10.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -95.07 178.64 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.807 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.96 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.17 -15.06 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.45 64.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -60.98 156.4 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.612 0.244 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 HG12 ' A' ' 70' ' ' VAL . 4.4 mp -82.48 134.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.2 t -81.98 94.53 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 158.12 44.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 59.6 mt -64.99 -38.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.01 -2.88 11.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -100.89 -162.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.774 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.14 -1.2 22.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -78.77 -7.43 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 37.8 t-105 -61.28 137.18 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -116.44 130.51 24.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.1 -9.36 21.45 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.1 m -72.82 -42.41 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.234 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -66.2 173.0 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -124.63 -171.57 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.357 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.76 -22.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.443 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -67.71 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.034 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -55.01 -52.43 63.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 tp -59.46 -42.12 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.01 -47.65 84.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.742 0.306 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.1 p -70.2 -27.25 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.408 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -67.19 -45.7 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.136 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.48 HD11 HG11 ' A' ' 70' ' ' VAL . 56.5 mt -72.98 -36.26 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.04 -43.95 98.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -67.81 -28.84 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.527 ' O ' HD13 ' A' ' 112' ' ' LEU . 1.4 tm? -60.24 -31.91 70.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.026 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.97 -46.28 68.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.787 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.437 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 23.4 t70 -63.37 -68.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.072 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.437 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 43.0 mt-10 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.823 0.26 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.08 -40.72 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.14 96.8 5.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -26.67 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.26 -48.5 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.13 -54.03 44.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.77 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.878 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.04 -40.85 82.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.23 -26.82 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.08 -36.65 80.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -99.17 -18.83 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.326 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.14 -78.68 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -115.95 94.32 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.49 -24.2 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.26 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.93 -28.34 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -76.31 -44.48 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.97 -40.54 98.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.286 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -64.81 -31.63 72.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -69.78 -37.32 76.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -62.62 -30.36 71.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.36 -56.28 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.468 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.0 pt -61.26 -33.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.433 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.431 HG13 ' HA3' ' A' ' 51' ' ' GLY . 52.7 t -74.25 -38.0 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.06 -39.18 83.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.134 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.96 -32.5 72.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.4 t -104.64 16.4 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.833 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -80.9 -30.85 1.57 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.427 2.085 . . . . 0.0 112.119 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.65 -33.68 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG3' HG21 ' A' ' 33' ' ' ILE . 72.3 ttt180 -70.4 -43.41 70.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.731 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -58.53 -44.64 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.218 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 4.2 mmp_? -59.36 -40.47 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.38 -36.77 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 59.3 mtt -58.54 -34.54 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -74.94 -28.84 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.33 -39.99 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.98 -45.94 79.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -54.4 -38.41 66.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.021 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -79.1 -25.37 43.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -70.35 -46.71 63.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.306 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.49 -34.57 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.404 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.43 -34.1 48.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -150.23 81.6 6.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HA ' HD13 ' A' ' 16' ' ' LEU . 47.0 Cg_endo -68.62 156.13 66.56 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.284 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB2' HG23 ' A' ' 24' ' ' VAL . 27.1 Cg_exo -61.8 154.18 62.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.507 2.138 . . . . 0.0 112.179 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.71 121.24 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.98 -36.8 3.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.127 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.55 HG23 ' HB2' ' A' ' 21' ' ' PRO . 19.6 m -121.51 145.62 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.804 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m -132.06 133.56 44.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.03 124.2 2.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.91 151.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.434 0.159 . . . . 0.0 111.006 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.6 124.44 10.74 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.407 2.071 . . . . 0.0 112.12 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.7 p -65.42 -70.34 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -173.45 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -65.98 99.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 56.12 -167.97 0.1 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 6' ' ' ARG . 20.2 tt -114.2 -7.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -80.81 -40.13 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.89 111.72 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -117.79 134.85 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -100.57 117.02 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.27 150.25 42.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -117.39 112.57 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -104.66 134.73 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -109.37 141.61 41.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 143.56 48.64 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.413 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HG2' HG21 ' A' ' 46' ' ' THR . 37.9 Cg_endo -66.07 178.02 2.7 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.235 1.957 . . . . 0.0 112.216 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.83 132.1 34.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.45 24.19 26.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.268 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' HG2' ' A' ' 43' ' ' PRO . 41.1 p -131.27 157.43 78.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.407 0.146 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 49.4 Cg_endo -68.41 5.39 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.315 2.01 . . . . 0.0 112.455 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -111.6 -10.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.98 -26.59 60.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.474 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.02 -44.48 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.539 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.96 178.24 45.03 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.135 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.4 p -131.67 162.31 30.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 110.733 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -140.65 153.97 46.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.32 127.77 40.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -132.15 164.31 26.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.89 138.61 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -111.71 109.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.24 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.36 149.56 44.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.2 m -95.96 133.86 39.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.08 -5.63 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.09 151.3 48.19 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 59.0 Cg_endo -71.51 0.77 6.39 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.405 2.07 . . . . 0.0 112.246 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -99.13 -32.7 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -56.63 153.12 22.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.26 124.33 10.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.63 2.22 . . . . 0.0 112.423 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.79 169.81 21.02 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.429 2.086 . . . . 0.0 112.203 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.0 m -117.46 112.06 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.14 137.91 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -156.4 147.65 22.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -68.63 144.02 54.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.09 -43.0 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.5 t -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.81 161.91 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -150.58 112.37 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.703 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.18 158.13 64.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.06 -21.04 48.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.541 2.161 . . . . 0.0 112.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -145.98 118.6 8.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.414 HG12 HD22 ' A' ' 123' ' ' ASN . 8.2 p -154.62 152.72 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 158.1 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.37 -19.83 65.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.307 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.73 -1.57 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.86 -8.43 73.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -58.64 150.22 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.794 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.2 mt -84.68 130.93 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.4 t -88.13 100.39 12.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -126.56 145.4 50.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' H ' HD13 ' A' ' 89' ' ' LEU . 11.5 m-20 -72.28 -21.28 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.9 tt -69.86 -27.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.27 -14.54 59.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.4 -159.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.26 -7.08 16.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -75.36 -14.13 60.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -60.6 146.58 44.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.439 ' HB3' ' HD1' ' A' ' 100' ' ' TYR . 24.0 t -142.84 146.64 38.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.629 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.33 -9.04 13.93 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.409 2.073 . . . . 0.0 112.077 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -77.91 -50.75 11.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.306 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HD1' ' HB3' ' A' ' 97' ' ' SER . 53.3 m-85 -55.06 141.27 35.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -114.29 -172.09 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.65 -28.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.272 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 21' ' ' PRO . 47.7 t -68.66 -33.8 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.9 m -72.96 -51.8 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -31.92 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.4 -41.91 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 111.184 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.6 p -73.77 -27.2 61.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.28 -39.99 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.82 -34.51 78.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 m -71.13 -29.23 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.644 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.47 -27.62 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.596 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.48 -43.31 49.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.13 -53.75 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.858 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.907 0.294 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.38 -30.63 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.414 HD22 HG12 ' A' ' 81' ' ' VAL . 45.6 t-20 -97.18 85.25 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.394 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -30.13 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.581 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.5 -33.25 75.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.69 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.01 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.416 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.33 -44.64 82.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.11 -32.93 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.326 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.81 -28.18 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.629 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -99.04 -35.79 9.92 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.04 -81.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -104.48 99.58 9.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.55 -24.54 63.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -62.79 -30.82 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -78.11 -27.72 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -76.51 -45.48 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 141' ' ' VAL . 11.5 pt-20 -62.37 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -67.77 -32.12 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -75.99 -52.9 9.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.41 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 138' ' ' GLU . 9.0 p -57.31 -35.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -70.65 -33.73 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -56.28 9.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.2 pt -57.2 -36.05 50.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.75 -40.71 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 43.3 mt-10 -67.88 -36.08 79.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.08 -36.75 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.006 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.2 t -104.09 12.98 33.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' TRP . . . . . 0.524 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -81.09 -31.47 1.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.522 2.148 . . . . 0.0 111.957 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.73 -33.83 75.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' H ' ' CG2' ' A' ' 3' ' ' THR . 51.6 ttp180 -64.56 -52.92 55.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -61.06 -31.07 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -62.42 -47.72 82.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.76 -30.23 67.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.8 mtt -70.59 -29.73 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.24 -30.88 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.027 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.13 -33.87 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -76.93 -46.09 25.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -53.47 -40.75 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.588 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.45 -26.24 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.313 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HG ' ' HD3' ' A' ' 21' ' ' PRO . 7.7 tt -73.47 -31.37 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.753 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.41 -42.39 79.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.58 -21.13 60.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.138 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -156.57 86.57 2.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.22 147.36 72.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 0.0 112.16 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HG ' ' A' ' 16' ' ' LEU . 23.7 Cg_exo -63.95 153.73 74.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.346 2.03 . . . . 0.0 112.024 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.72 124.24 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.51 -31.01 6.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.757 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.423 HG12 HG23 ' A' ' 40' ' ' ILE . 35.2 m -132.67 147.83 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 111.348 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m -137.36 133.28 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.79 124.49 3.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.632 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.2 17.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.369 0.128 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.34 99.86 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.285 1.99 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -108.63 136.58 47.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 62.86 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.16 146.15 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.859 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -59.27 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.066 0.46 . . . . 0.0 111.454 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.76 -19.46 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.56 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mtp -57.87 -66.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -93.06 135.52 34.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.011 0.434 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 m0 -113.9 133.23 55.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -100.63 114.81 28.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.46 150.47 43.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -122.62 122.13 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.423 HG23 HG12 ' A' ' 24' ' ' VAL . 83.5 mt -109.27 133.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.47 132.91 51.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 147.78 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.548 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.2 Cg_endo -69.63 -171.73 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.93 162.74 15.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 111.274 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.3 30.75 64.92 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.722 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.9 p -135.81 153.27 77.11 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.441 0.163 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 -2.56 8.89 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -101.4 -10.03 20.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.17 -29.59 67.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.106 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -85.33 -28.0 25.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.43 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -100.64 174.66 25.96 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.87 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -134.35 149.4 50.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -130.2 123.2 29.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.8 mppt? -98.46 147.58 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.642 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.54 160.16 43.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.1 p -121.26 138.56 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.368 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -107.09 109.79 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.96 125.48 35.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.66 147.12 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -117.07 123.78 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.669 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.38 88.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -134.93 -79.35 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -144.76 157.67 54.54 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.21 4.51 2.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.397 2.065 . . . . 0.0 112.425 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -127.13 -3.71 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.62 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.9 tptp -65.29 129.76 94.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -60.1 113.3 1.6 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.457 2.104 . . . . 0.0 112.389 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.01 179.57 2.23 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.586 2.19 . . . . 0.0 112.403 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -130.04 118.53 21.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.58 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.431 HG23 HG13 ' A' ' 57' ' ' ILE . 13.3 p -122.08 147.41 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.502 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -161.14 147.04 14.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -70.49 151.61 44.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.65 -39.56 15.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -92.66 163.99 13.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -72.33 117.64 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.3 162.85 18.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -139.49 109.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.735 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -127.75 158.76 69.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.74 -17.51 36.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.668 2.246 . . . . 0.0 112.777 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -144.97 119.99 10.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.251 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.53 151.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -86.95 171.46 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 3.38 47.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.723 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.71 4.24 89.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.415 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -64.86 169.6 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.351 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -100.19 143.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -90.39 104.87 17.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.54 141.86 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.473 ' H ' HD13 ' A' ' 89' ' ' LEU . 16.2 m-20 -75.31 -12.08 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.274 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.1 tt -72.2 -33.25 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.796 0.332 . . . . 0.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.78 -18.4 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -73.08 -162.54 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -68.15 -4.49 13.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -77.33 -0.68 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -78.41 144.17 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.5 m -133.87 145.89 57.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.57 -6.17 17.85 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 112.776 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 t -79.23 -26.15 42.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.602 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -78.89 174.02 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.11 -176.71 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.91 -23.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -65.83 -32.43 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.1 t -65.97 -51.26 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.78 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.23 -44.24 97.58 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.5 p -74.5 -29.32 61.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.1 m -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.954 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.81 -34.89 70.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -61.22 -33.52 73.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -69.78 -29.31 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.42 -33.65 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.477 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -64.87 -42.84 94.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.98 -52.83 62.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.856 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.802 0.251 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.82 -30.48 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -121.86 102.12 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.5 p -65.18 -28.7 69.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -71.12 -53.39 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.26 71.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.23 -50.03 73.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.026 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.42 -27.22 67.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -70.48 -28.63 65.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -103.88 -11.3 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.326 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -102.39 -83.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -104.22 100.79 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.69 -29.6 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -63.49 -29.54 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.6 -30.49 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -72.96 -44.71 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.2 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.79 -41.14 97.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -63.36 -37.14 86.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -64.63 -31.87 73.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.406 . . . . 0.0 110.385 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.3 -42.73 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.769 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.4 m -66.47 -30.34 70.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.58 -55.89 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.481 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.61 -32.04 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.865 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.3 t -76.53 -39.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -67.43 -38.95 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.8 -25.28 66.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.5 m -94.06 1.52 56.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' TRP . . . . . 0.475 ' HE1' ' HA2' ' A' ' 51' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.562 0.22 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.69 -32.03 92.69 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.09 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.61 -31.72 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -77.46 -34.28 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.115 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.43 -34.07 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -69.72 -49.23 55.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -65.23 -28.38 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.86 -52.82 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.04 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.707 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.04 -45.05 91.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -79.03 -25.9 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.21 -36.12 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.82 -36.43 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.197 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.26 -36.9 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -164.2 85.18 1.21 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.87 153.83 58.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.33 2.02 . . . . 0.0 112.202 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.48 147.05 80.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.148 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.98 140.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 -2.89 79.29 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.881 -0.675 . . . . 0.0 112.385 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 106' ' ' LEU . 7.8 p -160.6 141.88 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -129.14 147.68 51.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.167 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.69 93.6 0.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.325 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.72 154.5 51.98 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.558 0.218 . . . . 0.0 111.259 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 124.3 8.14 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.177 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -88.24 -81.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.0 -30.55 5.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.758 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -57.42 146.26 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -51.34 164.97 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -53.22 -28.88 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.499 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.0 ptp -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -115.85 124.94 51.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.415 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -113.81 157.46 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.9 111.5 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.697 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -126.73 149.34 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.47 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 54' ' ' LYS . 45.9 t -132.04 125.05 54.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.678 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.43 135.69 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -111.3 128.36 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -53.72 145.87 23.23 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.751 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.54 165.44 32.48 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.359 2.039 . . . . 0.0 112.028 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.24 117.74 14.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 28.6 3.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -140.54 158.51 65.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.392 0.139 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.27 -4.67 12.17 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.42 2.08 . . . . 0.0 112.147 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -105.3 -6.49 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.9 -33.47 64.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.15 -38.83 18.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.12 172.03 53.88 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.996 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -132.11 148.88 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.703 0.287 . . . . 0.0 110.79 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -136.13 148.53 48.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.895 0.379 . . . . 0.0 111.252 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' HG22 ' A' ' 39' ' ' VAL . 66.8 mttm -126.71 142.46 51.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.0 164.29 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.27 141.67 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 55' ' ' LEU . 4.0 mp -124.84 109.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.94 127.08 52.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -104.02 148.31 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.3 t -97.27 152.31 19.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.7 -3.44 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 89.2 m-85 -147.83 146.0 22.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 63' ' ' TYR . 27.5 Cg_exo -62.44 -12.79 29.37 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.417 2.078 . . . . 0.0 112.272 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -89.44 -22.68 22.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 14.7 mmmm -58.64 152.49 46.21 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.937 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 43.4 Cg_endo -67.98 121.08 8.08 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.367 2.045 . . . . 0.0 112.036 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.72 -174.57 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.367 2.045 . . . . 0.0 112.577 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.9 m -131.54 112.74 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.263 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 109' ' ' ILE . 99.8 t -128.44 137.94 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 111.439 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -167.19 128.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.11 126.41 27.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.28 -38.28 83.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.9 m -92.28 177.92 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -81.97 151.99 26.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.652 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -158.9 164.01 36.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.109 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' HB3' HD13 ' A' ' 144' ' ' ILE . 86.7 t80 -136.06 108.0 7.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.478 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -123.97 158.66 59.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.3 -18.03 35.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.581 2.187 . . . . 0.0 112.816 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -151.62 119.11 6.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.5 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -154.45 144.1 13.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.642 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.13 166.04 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.294 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.77 81.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.355 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.63 -2.58 36.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.31 -6.01 78.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 149.58 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.81 144.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.29 112.95 23.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -120.1 160.72 22.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.02 -16.56 22.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.123 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.39 -34.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.17 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.88 -10.21 8.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -77.29 -164.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.793 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.11 -12.76 29.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -75.11 -3.34 32.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -70.74 147.08 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.123 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 66.3 m -144.01 144.12 25.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.512 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 24.3 Cg_exo -63.14 -7.69 12.46 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.454 2.103 . . . . 0.0 112.377 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.9 m -76.48 -43.57 39.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -55.74 135.5 51.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.071 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.98 -174.21 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 106' ' ' LEU . 14.1 p -60.89 -22.17 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.056 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.748 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.9 t -60.65 -52.08 66.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 109' ' ' ILE . 2.9 tp -60.88 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.662 0.268 . . . . 0.0 111.506 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 38' ' ' ALA . 4.2 mm? -63.45 -43.97 95.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.741 0.305 . . . . 0.0 111.22 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.1 p -74.46 -27.82 60.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.57 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.0 m -68.55 -48.28 64.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 105' ' ' ILE . 77.1 mt -62.94 -39.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.759 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.61 -31.45 72.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.2 m -71.54 -29.34 64.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.809 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.9 -32.19 65.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.546 HD12 ' HA2' ' A' ' 42' ' ' GLY . 2.5 mt -72.0 -43.28 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.244 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.377 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.719 0.216 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.78 -25.38 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -115.74 99.42 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.684 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m -64.39 -35.64 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -66.8 -49.16 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.4 -49.36 67.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.37 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.596 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -56.7 -42.96 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.443 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -27.21 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.5 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -69.42 -32.91 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.566 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -97.63 -7.8 30.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.462 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.46 -80.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -109.44 105.94 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.321 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -73.3 -29.56 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -65.49 -30.13 70.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.27 -35.58 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.47 -39.85 77.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.009 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.17 -34.92 71.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.93 -31.06 61.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -75.68 -43.85 45.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 145' ' ' VAL . 9.7 p -63.38 -35.11 71.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.042 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -30.34 66.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.745 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.71 -51.45 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 77' ' ' PHE . 43.6 pt -59.77 -31.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 141' ' ' VAL . 53.7 t -77.05 -39.38 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.02 -40.62 96.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.13 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -103.87 13.98 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.814 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.604 0.24 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.13 -26.82 57.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.542 2.162 . . . . 0.0 112.142 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.2 -43.62 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HE ' HG21 ' A' ' 33' ' ' ILE . 79.0 ttt180 -72.3 -27.61 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.576 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.52 -41.87 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -65.56 -38.35 89.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.1 mt -55.1 -31.31 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.9 mtp -66.63 -52.91 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -58.49 -29.86 66.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -73.23 -32.53 64.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.214 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.05 -56.79 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.252 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 4.7 mmtt -58.99 -33.09 70.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.008 0.433 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -63.08 -36.04 82.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -75.31 -33.39 61.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.002 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.13 -16.24 59.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -83.96 -42.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -151.13 85.32 5.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.35 145.34 88.13 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.501 2.134 . . . . 0.0 112.234 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 24' ' ' VAL . 32.3 Cg_exo -58.46 141.82 97.48 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.668 2.245 . . . . 0.0 112.404 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.3 t -82.81 119.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.804 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.48 -24.34 31.25 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.409 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 21' ' ' PRO . 29.7 m -142.22 146.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 m -135.14 135.02 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.57 103.54 0.34 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.03 151.27 29.36 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 132.36 22.94 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.429 2.086 . . . . 0.0 112.266 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.7 p -94.56 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -133.24 -35.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -57.63 146.56 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.008 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -48.68 161.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.217 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.563 HG21 ' HE ' ' A' ' 6' ' ' ARG . 20.3 tt -53.3 -24.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 0.0 110.954 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -114.47 132.04 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.739 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.3 m0 -115.59 179.74 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -135.93 109.46 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.11 149.2 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 111.606 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.61 128.13 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.558 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.407 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.5 mt -112.18 127.24 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.421 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -95.91 133.93 39.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.17 138.86 44.81 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.605 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.93 169.77 15.63 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.447 2.098 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.01 140.15 36.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.68 18.25 56.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.599 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -131.49 154.41 81.87 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.19 -5.63 14.2 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.456 2.104 . . . . 0.0 112.206 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.93 -5.06 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.52 -32.75 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.376 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.53 -45.07 12.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.49 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.71 119.79 5.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.696 . . . . 0.0 113.085 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -85.98 157.29 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -127.02 143.95 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -111.99 143.62 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -149.92 157.03 42.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 36' ' ' TRP . 5.8 p -117.05 140.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.497 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.96 109.79 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -87.84 134.33 33.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.9 162.34 17.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.6 p -132.43 154.58 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.81 14.75 6.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.18 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -142.91 152.94 60.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -17.29 59.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.562 2.175 . . . . 0.0 112.27 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.67 -18.31 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.08 123.21 46.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.53 117.17 3.66 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.466 2.111 . . . . 0.0 112.161 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.53 -174.23 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.513 2.142 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -129.58 136.13 49.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 HG13 ' A' ' 57' ' ' ILE . 13.9 p -142.82 143.0 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.345 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -159.52 155.59 26.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.226 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -80.46 139.51 36.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.984 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.9 -26.05 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.141 0.496 . . . . 0.0 110.151 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -98.94 -169.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.734 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -92.85 133.93 35.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.625 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.55 153.66 41.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -131.8 113.03 13.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 78.3 m80 -129.54 158.6 72.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 26.9 Cg_endo -62.3 -9.02 13.81 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.576 2.184 . . . . 0.0 112.619 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.497 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 22.4 p-10 -151.66 119.29 6.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 111.41 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.15 152.09 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.757 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -91.39 169.37 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.68 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.99 -10.99 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.94 62.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.9 m -74.21 169.34 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -106.27 146.26 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.9 t -88.5 103.24 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 91' ' ' ILE . 10.6 mp -113.32 121.66 45.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -64.59 -22.83 67.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 89' ' ' LEU . 14.6 tt -73.26 -37.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -12.95 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.202 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -71.45 -161.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -66.66 -2.17 4.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.27 -4.39 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -66.72 146.22 54.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -139.66 148.21 54.94 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.721 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.52 -2.08 11.24 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.389 2.06 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.4 p -78.01 -31.67 50.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -73.4 -175.87 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.63 -178.51 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.1 p -63.61 -22.35 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -68.32 -32.11 72.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.5 m -67.76 -51.36 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.496 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -59.48 -32.9 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.968 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -44.92 78.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.7 p -70.31 -27.38 64.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.4 t -61.74 -44.08 97.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.956 0.408 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.6 mt -71.02 -34.99 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.19 -44.15 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -65.48 -29.23 69.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.72 -26.25 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.51 -42.75 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 -179.825 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.813 0.255 . . . . 0.0 112.205 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.88 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.497 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 36.7 t-20 -90.87 102.73 15.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.2 p -70.82 -28.02 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.482 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.48 -47.64 63.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -58.11 -45.87 86.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.38 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.74 74.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.035 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.22 -33.49 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.93 -27.64 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -65.75 -33.71 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.36 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.78 -23.93 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -90.16 -84.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.178 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.81 96.36 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -72.02 -21.39 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -70.71 -30.88 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.16 -27.38 53.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -75.88 -50.75 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.309 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.76 -40.94 80.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.23 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.74 -31.23 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -67.94 -36.16 79.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.86 -42.09 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 t -67.69 -30.3 69.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.53 -57.18 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.45 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.4 pt -57.58 -33.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.63 -37.43 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.972 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -37.38 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -64.4 -32.13 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.6 t -105.34 10.68 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.4 t90 . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.632 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.568 0.223 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.04 -36.05 84.15 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.444 2.096 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.4 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -67.82 -39.36 83.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.88 -32.13 73.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -62.84 -47.58 82.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.15 -31.03 51.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.63 -44.97 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -74.9 -28.21 60.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.23 -46.78 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.69 -42.84 85.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -55.04 -34.24 63.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.289 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.38 -25.82 42.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.02 -47.0 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.52 -27.34 62.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.65 -44.6 73.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.775 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -160.0 87.43 1.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 157.72 59.25 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.415 2.077 . . . . 0.0 112.04 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 24' ' ' VAL . 36.6 Cg_exo -60.5 152.57 67.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.384 2.056 . . . . 0.0 111.942 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.11 138.63 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.68 -2.78 66.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.641 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 21' ' ' PRO . 7.4 p -161.56 142.84 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.0 t -137.41 148.38 46.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -150.17 99.51 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.581 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.78 156.09 38.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 122.886 -0.184 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.2 122.29 8.25 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.292 1.995 . . . . 0.0 112.314 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 t -70.9 -77.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.35 -29.89 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.65 147.22 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -48.84 168.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.285 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -55.62 -16.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.622 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.55 -60.37 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.037 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -99.07 137.09 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.52 164.94 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -127.32 107.97 10.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.652 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.87 148.22 41.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.448 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -126.7 113.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.4 mt -104.85 133.88 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -105.91 134.65 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.73 144.5 34.28 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.576 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.24 -174.69 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -87.14 161.18 18.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.73 28.04 69.34 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.597 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.4 p -134.54 156.02 79.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.445 0.164 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 1.99 3.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.339 2.026 . . . . 0.0 112.013 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.82 -5.43 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.88 -34.32 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.77 -46.33 11.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 163.87 54.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.687 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -131.6 140.65 49.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.91 163.89 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -140.61 143.0 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.744 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.48 162.84 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.14 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.95 145.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.5 mp -125.79 111.22 26.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.61 136.61 38.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.752 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -112.74 142.29 45.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -104.88 152.14 22.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.757 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.38 6.05 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.71 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -144.83 148.83 40.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.74 -25.21 78.47 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.427 2.085 . . . . 0.0 112.035 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.52 -18.76 23.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.4 tmtt? -52.08 132.14 40.64 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 10.3 Cg_endo -51.76 110.99 0.49 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.384 2.056 . . . . 0.0 111.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.39 -169.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.452 2.102 . . . . 0.0 112.639 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -131.23 118.49 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.29 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 109' ' ' ILE . 92.3 t -134.76 138.31 49.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -165.56 145.01 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.84 132.25 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.32 -38.76 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -88.66 169.65 11.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.65 125.71 27.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 163.7 29.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -143.17 110.6 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.629 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -127.66 155.89 76.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.02 -25.84 72.38 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.317 2.011 . . . . 0.0 112.161 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -128.9 118.04 22.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.805 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -152.69 135.27 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -85.94 174.48 9.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.059 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.53 1.64 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.68 4.64 81.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.94 164.48 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.683 0.278 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.85 137.61 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.43 105.06 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -127.41 140.39 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.459 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.51 -20.93 66.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.683 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.58 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.4 tt -67.34 -26.6 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.2 -9.11 54.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.195 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -76.45 -164.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.8 -7.98 32.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -72.81 -10.76 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.08 140.82 58.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 m -135.75 142.28 40.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.668 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.13 -2.36 6.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.539 2.159 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 65.2 m -76.92 -41.02 45.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -61.37 172.36 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -133.07 -171.46 2.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.46 -22.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 m -69.22 -32.09 71.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -62.11 -52.4 64.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.934 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.42 HG12 HG21 ' A' ' 70' ' ' VAL . 2.7 tp -59.17 -37.17 66.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.76 0.314 . . . . 0.0 111.359 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 72.8 mt -61.29 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.122 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.9 p -59.97 -27.9 67.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.495 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -48.18 74.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.591 HD11 HG11 ' A' ' 70' ' ' VAL . 57.5 mt -69.85 -39.24 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.221 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.73 -44.26 90.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -72.48 -29.71 63.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -60.21 -35.24 74.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 113' ' ' LEU . 6.5 mt -56.76 -36.9 70.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.32 -55.22 37.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.057 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.802 0.251 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.5 -43.44 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -105.37 110.85 23.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.457 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.1 m -70.79 -27.37 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.608 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -69.42 -53.46 19.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.424 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.31 42.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.581 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.04 56.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.594 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.82 -36.21 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 0.0 111.349 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.8 -27.26 69.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.24 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -67.82 -32.33 72.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.642 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -98.4 -24.7 15.08 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.72 -80.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.25 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -106.35 92.58 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.32 -36.64 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -34.45 77.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -70.15 -27.53 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -75.99 -42.18 48.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.14 -45.66 84.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.158 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -58.28 -37.89 75.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 145' ' ' VAL . 92.0 t -60.7 -44.47 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.4 m -62.47 -30.34 71.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.72 -56.97 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.577 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.6 pt -59.18 -35.33 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.469 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 55.1 t -70.42 -40.51 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -62.86 -42.16 99.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.295 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.48 -36.75 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.2 p -100.39 13.5 34.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.279 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 4.7 t90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.751 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 10.0 Cg_endo -81.04 -34.77 0.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.44 2.094 . . . . 0.0 112.095 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.05 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -64.36 -52.88 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.151 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -58.31 -34.9 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.547 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' PRO . 29.5 mmt180 -57.46 -48.23 79.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.314 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.48 -39.16 72.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.12 -31.47 72.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.457 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -75.01 -28.39 60.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -73.87 -37.04 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.59 -51.94 24.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.63 69.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.673 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -79.76 -25.94 40.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.06 -46.83 88.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.44 -40.74 66.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 110.539 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -158.94 82.08 2.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.464 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.61 150.36 74.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.509 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 37.1 Cg_endo -66.88 141.69 59.79 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.385 2.057 . . . . 0.0 112.113 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -89.19 123.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.309 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.29 -5.13 55.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' PRO . 8.2 p -159.17 148.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -137.3 145.59 43.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.973 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -156.16 112.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.346 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.26 156.64 54.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.445 0.164 . . . . 0.0 111.172 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -68.94 130.1 19.72 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.486 2.124 . . . . 0.0 112.174 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -59.6 -72.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -172.24 -30.06 0.01 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -84.1 110.13 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.2 m120 56.6 -177.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.654 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -113.21 -1.92 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -77.04 -50.1 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -83.73 121.5 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.1 m0 -122.31 135.87 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -100.09 122.68 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.12 150.32 51.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.45 122.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.23 130.33 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.56 149.44 24.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.72 142.8 37.01 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.784 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD3' HD12 ' A' ' 113' ' ' LEU . 40.2 Cg_endo -68.01 4.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 66.49 113.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.81 -3.73 17.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.048 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -110.97 161.34 25.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.61 ' HB2' HG11 ' A' ' 141' ' ' VAL . 18.2 Cg_exo -66.62 2.55 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.371 2.047 . . . . 0.0 112.247 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -109.93 -6.92 15.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.27 -26.03 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.59 1.87 40.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.299 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.66 145.1 16.36 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.667 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.0 p -100.95 157.49 16.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.676 0.274 . . . . 0.0 110.924 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.22 125.45 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -105.33 115.45 30.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -120.56 164.31 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.062 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.9 p -124.44 139.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -107.56 109.72 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.562 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.78 155.97 16.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.11 162.63 32.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.698 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -136.94 128.6 28.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.43 90.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -133.15 -76.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -143.69 154.66 59.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 41.2 Cg_endo -67.47 -3.82 10.81 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.181 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -122.14 -4.78 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 48.4 tptt -60.43 130.43 89.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 36.2 Cg_endo -64.89 121.75 9.35 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.352 2.035 . . . . 0.0 112.188 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.27 -172.69 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.27 1.98 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -130.76 135.01 47.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 87' ' ' ILE . 15.0 p -139.93 146.91 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.402 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -159.02 160.91 36.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' HD12 ' A' ' 55' ' ' LEU . 62.8 m-85 -84.75 126.74 33.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.66 -34.74 74.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.514 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -92.31 140.42 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.07 113.9 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 mmt -127.5 163.26 24.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.53 118.79 34.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 39.2 m80 -127.03 157.48 71.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -59.31 -19.54 51.1 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.416 2.077 . . . . 0.0 112.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.57 119.44 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -148.16 129.18 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -72.43 172.21 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -94.4 8.5 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.33 10.36 84.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -68.21 169.47 10.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 70' ' ' VAL . 4.5 mp -98.86 134.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.15 102.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.37 139.6 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.7 -23.81 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -65.63 -28.46 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.6 tp -72.91 -17.42 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -79.73 -159.24 0.2 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -65.61 -6.18 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 6.3 tpm_? -72.74 -12.76 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.435 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 64.1 t-105 -67.56 144.94 55.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 59.5 m -134.83 147.69 63.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.767 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 15.6 Cg_exo -68.54 -5.22 14.69 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.701 2.267 . . . . 0.0 112.504 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 74.9 p -79.07 -44.12 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.424 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -59.37 167.57 1.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -136.27 -171.62 2.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 105' ' ' ILE . 76.3 t -58.33 -24.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.7 m -70.26 -32.51 70.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.747 0.308 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.9 t -73.29 -47.0 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.605 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -58.93 -36.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.251 -179.485 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.485 HD11 ' HA3' ' A' ' 26' ' ' GLY . 42.2 mt -66.78 -47.92 70.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.8 p -66.4 -27.97 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.2 m -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.2 -38.93 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.95 -31.86 73.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.41 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -68.01 -28.84 67.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.73 -25.15 59.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.484 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -78.47 -42.61 29.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.492 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.02 -44.17 96.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.981 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.992 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo . . . . . 0 N--CA 1.462 -0.366 0 CA-C-O 120.788 0.245 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.64 -25.62 21.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -120.96 109.44 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.7 p -68.54 -33.3 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -70.2 -47.82 59.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.001 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 79' ' ' PRO . . . -57.04 -53.84 53.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.59 73.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -68.47 -30.05 68.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -103.96 -11.13 17.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.506 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -98.19 -78.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.936 0.398 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.78 103.55 12.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.46 -21.66 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.697 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -70.85 -38.49 73.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.25 -27.81 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -74.58 -50.03 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.15 -37.93 75.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 111.245 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.96 -30.32 71.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -76.01 -31.12 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 47' ' ' PRO . 66.6 t -59.09 -52.98 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.8 m -71.36 -30.21 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.63 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.797 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 145' ' ' VAL . 46.4 pt -73.99 -35.92 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' HG13 ' A' ' 144' ' ' ILE . 54.5 t -72.0 -33.64 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.561 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 35.2 mt-10 -66.54 -30.67 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.326 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -64.07 -40.59 96.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.1 p -94.4 0.19 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' TRP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -79.86 -33.79 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.392 2.061 . . . . 0.0 111.914 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HA ' ' HG3' ' A' ' 64' ' ' PRO . . . -59.78 -34.2 72.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.21 -42.83 75.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.96 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 11' ' ' ARG . 30.8 mmm180 -71.62 -42.27 67.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.467 HD13 HG12 ' A' ' 33' ' ' ILE . 90.2 mt -53.15 -43.61 67.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.81 -31.55 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 8' ' ' ARG . 99.1 mtt180 -75.28 -31.85 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -74.38 -30.88 62.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.54 -51.48 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.7 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -79.66 -25.4 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.87 -43.01 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.441 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.5 -33.8 75.6 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.0 -42.04 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.16 83.56 3.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 156.43 62.72 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.61 150.6 79.83 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.405 2.07 . . . . 0.0 112.285 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.18 136.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.12 -19.66 50.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.816 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.63 157.11 12.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.435 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 t -135.91 146.94 47.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.724 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.73 87.75 0.12 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.68 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.05 153.69 67.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.547 0.213 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.91 110.32 2.35 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.389 2.06 . . . . 0.0 112.335 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 p -77.78 -62.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -136.68 -29.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 13.7 m120 -64.29 146.35 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.699 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.59 175.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 111.681 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 9' ' ' LEU . 20.6 tt -56.68 -18.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.523 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.5 mtt -71.18 -50.39 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 52.5 tt0 -104.24 127.57 51.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -114.74 153.64 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.12 116.9 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.382 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.12 148.91 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.012 0.434 . . . . 0.0 111.628 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 54' ' ' LYS . 9.2 p -137.95 146.93 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.9 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.2 120.46 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.48 149.44 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.96 139.88 37.11 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.611 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.7 Cg_endo -70.6 178.83 4.67 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.429 2.086 . . . . 0.0 112.096 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.29 128.48 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.67 9.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.6 p -138.31 156.6 73.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.349 0.119 . . . . 0.0 111.135 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.9 2.32 3.16 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.267 1.978 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -111.15 -3.28 15.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.712 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -57.56 -30.4 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.579 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.48 -37.83 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.32 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.27 -173.87 41.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.621 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 t -148.32 151.65 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -130.11 122.23 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 39' ' ' VAL . 94.2 mttt -94.34 155.49 16.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.291 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -152.96 163.7 39.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.05 153.0 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.654 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -126.81 123.26 62.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.3 125.04 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -103.61 151.07 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -101.63 161.61 13.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.75 6.05 36.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.01 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 96.5 m-85 -148.39 152.75 39.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 16.4 Cg_exo -67.26 -11.81 33.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.616 2.21 . . . . 0.0 112.112 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.62 -25.55 16.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.274 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -55.87 151.99 21.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.44 125.91 17.95 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.412 2.075 . . . . 0.0 112.219 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.22 -172.84 1.1 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.295 1.997 . . . . 0.0 112.354 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.3 m -131.51 113.76 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 109' ' ' ILE . 98.1 t -130.3 136.89 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.839 0.352 . . . . 0.0 111.406 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -166.46 144.34 5.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.28 146.79 48.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.0 mt -87.94 -37.44 16.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.471 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.2 m -90.4 143.91 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.716 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -56.37 125.73 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.53 164.18 30.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -137.98 115.4 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -129.49 156.13 79.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.64 -18.31 39.74 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.277 1.985 . . . . 0.0 111.974 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -134.9 118.3 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -153.27 121.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -66.18 176.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.959 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.45 74.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.58 7.69 32.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.58 4.18 87.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.588 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.3 m -63.26 158.3 20.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.9 137.15 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 65.0 m -80.94 104.7 11.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -134.12 143.49 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' H ' HD13 ' A' ' 89' ' ' LEU . 20.8 t70 -68.61 -22.09 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 89' ' ' LEU . 17.3 tt -69.61 -13.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.084 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.84 -25.62 61.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.25 -164.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.19 -0.24 3.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -72.24 -8.51 55.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.994 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.15 147.28 48.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.4 m -136.58 151.94 73.74 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.14 1.78 7.42 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.434 2.09 . . . . 0.0 112.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 m -86.82 -48.4 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -56.6 151.13 14.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.41 -175.67 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 105' ' ' ILE . 11.5 p -64.78 -26.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.8 m -63.36 -32.32 73.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.5 t -61.19 -30.13 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.4 OUTLIER -78.96 -27.41 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.992 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.71 -42.66 70.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.0 p -73.85 -29.89 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.773 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.2 p -62.76 -41.21 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.212 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.53 HD11 HG11 ' A' ' 70' ' ' VAL . 70.9 mt -73.24 -38.59 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.423 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.93 -32.2 71.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m -67.45 -29.18 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.67 -26.13 65.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.529 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -76.57 -42.16 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.005 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.769 -179.781 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.907 0.295 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.35 -25.85 9.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.904 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -129.58 105.76 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.413 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -64.77 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.256 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.42 -52.47 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.535 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.91 41.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.613 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.67 73.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.382 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.51 -38.54 89.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.147 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.39 -26.71 68.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.289 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -64.31 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.468 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -99.73 -45.56 5.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.648 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.77 -77.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.748 0.308 . . . . 0.0 111.274 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.11 88.31 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.29 -26.78 66.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.694 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.02 -29.68 69.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.81 -31.92 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.71 -47.41 39.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.369 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.29 -40.74 87.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.386 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -64.06 -34.14 77.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -68.21 -34.22 75.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.5 -48.04 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.3 p -66.17 -30.3 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.6 -57.96 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.484 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -58.46 -31.43 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.677 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.7 t -76.03 -41.85 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.244 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.49 -34.34 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.02 -39.76 91.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -97.94 9.61 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.718 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.611 0.243 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.67 -31.72 69.38 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.733 2.289 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.47 68.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -65.16 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.011 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -71.69 -31.52 66.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -77.55 -41.26 39.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.5 -36.02 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.337 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.24 -51.72 19.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -56.68 -28.69 61.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.336 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.58 -34.52 72.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -65.33 -52.91 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -62.28 -31.86 72.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.03 0.443 . . . . 0.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -75.14 -28.38 60.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.175 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.27 -47.13 29.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.441 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -57.99 -23.81 55.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 111.419 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.29 -48.64 49.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.504 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -141.64 79.97 16.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.4 Cg_endo -65.74 148.03 86.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.549 2.166 . . . . 0.0 112.264 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.8 Cg_exo -64.49 156.06 62.73 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.525 2.15 . . . . 0.0 112.191 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.86 138.07 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 -22.61 13.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.317 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 40' ' ' ILE . 27.1 m -140.36 160.04 25.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -151.26 148.1 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.06 125.2 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.16 146.35 19.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.375 0.131 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.5 106.46 1.96 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.482 2.121 . . . . 0.0 112.471 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -77.54 -156.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.404 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.65 -19.59 4.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.3 146.48 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.013 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -52.58 168.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.455 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.12 -26.0 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.004 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.1 mtm -73.68 -0.27 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.565 0.221 . . . . 0.0 111.377 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -140.51 117.47 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -117.62 135.12 54.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -100.61 126.83 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.35 147.31 52.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.125 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.0 t -118.63 120.55 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 ' HA ' HG12 ' A' ' 24' ' ' VAL . 59.7 mt -111.44 130.93 64.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -104.33 133.82 48.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -58.79 145.74 42.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.51 -174.86 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.29 1.993 . . . . 0.0 112.229 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.92 138.65 31.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.2 63.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.656 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 p -116.68 157.05 47.02 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.33 0.109 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.74 -0.15 5.69 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.474 2.116 . . . . 0.0 112.17 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -111.05 -2.35 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.017 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.53 -31.05 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.34 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.07 -32.8 22.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.14 176.33 35.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.638 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.6 p -137.35 143.59 42.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -123.72 144.3 49.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -119.86 139.81 51.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.45 164.62 28.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 111.418 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -126.53 134.38 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -103.55 111.11 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.31 132.75 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -112.28 148.17 34.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -113.65 126.35 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.597 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.57 94.42 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -144.3 -83.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.19 153.03 48.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.4 -17.29 52.54 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.49 2.126 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.45 -14.16 19.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -58.13 132.04 84.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.65 135.55 71.11 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.353 2.035 . . . . 0.0 111.99 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -85.41 175.11 6.49 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.556 2.171 . . . . 0.0 112.641 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.5 m -128.75 130.19 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.504 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 105' ' ' ILE . 11.7 p -139.99 146.95 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.905 0.383 . . . . 0.0 111.358 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -166.86 142.02 4.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -65.49 147.68 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -85.79 -30.71 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.454 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 m -101.55 165.76 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.754 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 2.4 mmmp? -67.95 133.58 49.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -142.02 156.95 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -134.0 120.74 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -134.41 158.78 74.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.73 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.61 -19.21 36.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.402 2.068 . . . . 0.0 112.503 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -144.87 118.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.34 157.0 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -98.51 174.33 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -24.98 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.03 4.93 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 12.44 75.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.619 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -71.89 165.24 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.638 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD22 ' A' ' 112' ' ' LEU . 4.9 mp -97.22 134.57 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 49.5 t -85.32 94.46 8.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -125.85 137.81 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 11.5 m-20 -60.97 -29.91 69.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 89' ' ' LEU . 16.6 tt -66.24 -26.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.5 tp -68.3 -25.36 65.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.19 -163.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.33 -7.16 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.322 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.465 ' HD3' ' HB3' ' A' ' 90' ' ' ASP . 76.8 mtp180 -73.58 0.83 11.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -75.82 147.75 38.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.1 m -141.81 148.23 48.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.77 -1.43 10.38 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.376 2.051 . . . . 0.0 112.612 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.9 t -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.248 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -98.4 -179.91 4.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -140.21 -173.89 3.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.95 -21.94 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' PRO . 53.2 m -69.98 -31.87 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.0 m -61.1 -52.02 66.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.816 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.443 HD11 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -59.57 -36.98 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.92 -47.83 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.4 p -74.67 -27.55 60.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.436 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.22 -38.5 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.0 -31.95 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.2 t -69.97 -29.43 66.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.48 HD22 HG23 ' A' ' 87' ' ' ILE . 26.3 tp -57.75 -31.86 66.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.425 HD12 ' HA2' ' A' ' 42' ' ' GLY . 1.9 mt -77.2 -44.81 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.12 -35.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.786 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.768 0.237 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.5 -31.11 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -114.43 99.85 7.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.538 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 t -66.71 -27.81 67.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.333 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.73 21.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.48 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.241 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.11 -48.35 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.52 -27.75 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -62.69 -44.0 97.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.314 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -91.5 -16.6 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.71 -75.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -113.69 88.08 2.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.856 0.36 . . . . 0.0 110.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -64.93 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -81.65 -30.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -72.84 -46.21 54.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.92 -33.07 74.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -69.77 -35.95 75.34 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -70.87 -51.12 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.16 -35.88 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 84.0 p -71.02 -30.52 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.79 18.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 pt -59.45 -31.94 47.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.462 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.34 -41.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.97 -46.21 88.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.53 -25.74 68.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.0 m -104.66 8.5 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.458 0.171 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.07 -33.48 73.36 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.543 2.162 . . . . 0.0 112.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.49 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.26 -35.02 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.64 -34.32 77.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 28.1 mmt180 -77.0 -34.06 57.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.069 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 33' ' ' ILE . 66.9 mt -62.97 -29.67 70.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.62 -31.62 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.986 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.7 -40.76 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.39 -49.21 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -52.85 -39.05 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.616 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -79.8 -25.49 40.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.02 -44.28 66.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.434 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.18 -24.72 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.456 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.01 -41.91 27.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -143.09 80.01 13.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.597 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.99 150.8 78.1 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.532 2.154 . . . . 0.0 112.264 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 153.26 74.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.384 2.056 . . . . 0.0 111.994 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -90.57 141.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 -11.2 60.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG22 HD23 ' A' ' 106' ' ' LEU . 15.0 p -155.62 151.25 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.694 0.283 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -139.73 133.68 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.53 128.71 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.326 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 150.62 20.01 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 108.6 2.71 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.401 2.067 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -129.29 143.65 50.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 62.87 -81.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.37 145.66 42.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.38 -173.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.349 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.516 HD12 ' HE1' ' A' ' 36' ' ' TRP . 10.3 tp -56.92 -21.36 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.191 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -58.23 -54.63 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -107.32 144.97 33.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.103 0.478 . . . . 0.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.516 ' HE1' HD12 ' A' ' 33' ' ' ILE . 6.8 m0 -123.19 146.33 47.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.52 128.22 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.66 150.17 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.6 120.3 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -103.53 120.89 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.62 152.21 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.66 24.85 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.755 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.4 5.41 5.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.742 2.294 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 66.73 104.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.06 11.42 3.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.956 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 80.9 p -132.65 159.62 71.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 C-N-CA 122.016 0.126 . . . . 0.0 110.796 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 34.8 Cg_endo -65.43 -3.13 7.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.182 1.921 . . . . 0.0 112.396 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -97.57 -12.86 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.749 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.34 -27.54 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.19 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.34 0.29 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -144.52 177.15 23.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.632 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.8 p -126.68 152.0 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.012 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -130.91 135.07 47.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -111.81 139.44 47.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.601 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.58 164.17 29.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.06 137.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.944 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -112.36 112.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.79 150.67 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -134.36 150.07 50.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -107.05 138.08 43.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.481 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.2 4.08 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.5 -83.11 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 96.7 m-85 -142.53 155.5 63.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 66.9 Cg_endo -73.88 -0.81 9.95 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -104.4 -18.21 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 34.9 mmtp -60.36 146.83 83.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 113.04 3.22 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.466 2.111 . . . . 0.0 112.371 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.8 161.63 43.27 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.327 2.018 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.4 m -116.58 117.97 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.72 145.78 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -159.65 146.63 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -69.32 147.8 50.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.03 -28.45 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.5 t -98.6 157.99 15.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.11 138.48 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 154.28 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -131.11 115.53 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.301 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -132.71 156.64 79.86 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.988 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.0 -18.47 43.21 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.461 2.107 . . . . 0.0 112.314 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -138.47 118.32 13.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.837 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.1 t -153.44 126.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.622 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -72.63 168.2 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.91 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.32 -16.2 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.21 8.39 60.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -68.54 168.64 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -97.89 137.64 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.55 109.92 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.7 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.24 146.24 36.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.526 ' H ' HD13 ' A' ' 89' ' ' LEU . 6.9 m-20 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.243 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 16.5 tt -66.6 -21.85 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.3 mt -76.51 -9.97 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -82.31 -163.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.64 -3.91 17.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -72.92 -17.99 61.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -57.14 142.44 42.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -134.01 142.88 45.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.77 -3.79 13.4 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.569 2.179 . . . . 0.0 112.328 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.4 m -75.05 -41.22 59.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -65.76 -179.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.6 -171.6 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.23 -26.22 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -66.42 -32.58 74.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.6 p -56.29 -42.6 77.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -69.97 -31.76 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 HG22 ' A' ' 24' ' ' VAL . 1.8 mp -65.63 -54.54 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.5 p -65.19 -27.57 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -61.81 -48.56 80.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.1 -34.79 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.478 ' HA ' HD21 ' A' ' 113' ' ' LEU . 61.6 tt0 -59.08 -33.46 70.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -72.24 -29.23 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.428 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.05 -56.35 20.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.563 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.9 OUTLIER -67.41 -22.19 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 0.0 111.003 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.69 -40.67 72.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.85 0.271 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.02 -6.19 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.209 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -135.66 99.82 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.3 p -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -74.86 -48.39 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.44 65.75 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.67 75.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.34 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.3 -34.87 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.97 -27.63 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -70.25 -49.19 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.441 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.29 -76.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -126.99 85.01 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -63.81 -14.09 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.77 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 10.3 tp10 -78.94 -34.8 44.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -69.41 -48.58 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 -36.8 73.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -64.4 -32.04 73.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.583 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 136' ' ' GLU . 36.9 mmt180 -74.85 -30.99 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.699 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.21 -43.61 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -71.2 -34.46 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.12 19.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.3 pt -58.72 -32.38 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.784 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.599 HG13 ' HA3' ' A' ' 51' ' ' GLY . 48.4 t -74.56 -42.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.365 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.2 -34.65 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.156 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -69.02 -30.2 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -104.17 11.56 34.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -79.85 -36.1 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.374 2.05 . . . . 0.0 111.772 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 3' ' ' THR . . . -57.59 -34.06 68.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.452 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' H ' ' CG2' ' A' ' 3' ' ' THR . 46.7 ttp180 -66.34 -45.68 79.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.591 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -59.12 -32.81 70.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.957 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.9 mt -54.68 -33.24 60.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.9 mtp -72.73 -35.96 67.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.91 -37.24 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -70.59 -30.48 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -72.07 -56.1 6.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.424 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -55.8 -31.96 63.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -80.12 -26.23 39.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -71.5 -44.57 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.421 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.53 -27.24 68.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.761 0.315 . . . . 0.0 111.355 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.57 -50.67 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -141.91 70.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.95 144.47 8.27 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.87 146.65 85.4 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.458 2.105 . . . . 0.0 112.294 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.85 118.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.332 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.84 -23.69 31.72 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.673 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.91 166.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 m -149.77 141.89 24.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.512 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -144.59 110.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.636 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.69 151.95 23.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.062 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.71 121.12 8.15 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.508 2.138 . . . . 0.0 112.219 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -97.94 -76.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -106.73 -38.21 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.676 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.04 145.78 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.71 -174.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.14 -20.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.396 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.5 mtp -59.75 -63.83 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -103.65 137.68 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -114.43 144.81 42.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -100.92 102.82 13.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.61 149.89 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.392 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.68 119.9 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.916 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -110.94 122.25 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -95.01 133.77 38.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.759 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.19 146.99 47.74 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.61 177.02 8.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.501 2.134 . . . . 0.0 112.095 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.97 169.73 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.99 21.33 61.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.764 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 p -135.22 157.46 76.72 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 122.933 -0.157 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.9 -2.82 9.36 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.314 2.009 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -102.1 -7.83 21.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.89 -35.05 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.441 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.96 -18.48 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.452 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -106.77 173.73 19.51 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.854 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -135.43 154.81 51.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.74 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.18 139.4 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 111.354 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -115.62 138.45 51.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.457 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.592 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.71 164.07 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.348 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.58 136.09 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.1 112.26 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.1 124.53 36.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -105.48 148.08 27.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.1 p -128.77 144.31 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.273 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 62' ' ' GLU . 2.9 pt-20 -50.92 -87.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.613 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 15.1 mm-40 44.8 -98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 94.2 m-85 -147.09 147.23 28.4 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -62.13 -11.28 21.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.599 2.2 . . . . 0.0 112.462 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.33 -15.81 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 41.0 mmtm -67.85 148.33 98.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.83 142.34 28.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.511 2.141 . . . . 0.0 112.486 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.1 172.35 10.84 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.607 2.205 . . . . 0.0 112.451 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -118.0 112.73 20.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -119.99 148.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.877 0.37 . . . . 0.0 111.442 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -158.54 144.31 16.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -70.79 148.36 47.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.3 mt -98.04 -44.6 6.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -82.94 156.77 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.15 124.85 20.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.58 164.18 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -142.59 108.08 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -120.61 157.62 53.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.06 -23.25 67.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.548 2.166 . . . . 0.0 112.264 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -140.97 118.96 11.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.26 144.14 13.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.63 173.59 11.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -31.98 73.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.93 -13.09 56.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.48 4.83 57.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -64.84 163.11 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -99.4 136.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -91.53 101.49 14.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -125.91 150.4 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.766 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.54 ' H ' HD13 ' A' ' 89' ' ' LEU . 10.7 m-20 -78.86 -15.88 57.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -64.74 -28.23 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -67.57 -22.63 65.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -69.78 -165.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -67.87 -1.29 5.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.67 -0.55 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -79.81 140.34 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -121.84 153.02 60.14 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.03 4.56 6.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.626 2.217 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.8 p -89.32 -44.82 9.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -64.07 167.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -128.12 -170.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.43 -29.66 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.74 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.8 p -60.25 -32.5 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -60.07 -47.5 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.361 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -63.05 -31.67 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.902 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.512 HD11 ' HA3' ' A' ' 26' ' ' GLY . 92.9 mt -66.96 -46.55 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.4 p -72.78 -27.35 61.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.314 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -64.78 -48.35 74.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.8 mt -65.8 -35.15 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -66.53 -29.32 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.53 -32.28 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.839 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.05 -44.94 94.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.58 -58.78 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.671 0.196 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 -51.01 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.832 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.5 103.67 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.414 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -70.52 -30.0 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.281 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -65.16 -45.91 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.304 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.4 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.54 74.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.55 -38.67 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.175 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.27 -27.38 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.93 -31.75 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -103.7 -13.61 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -95.39 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.997 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -128.75 98.72 5.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -73.3 -22.9 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.745 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -69.9 -30.53 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.94 -27.49 49.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.397 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -71.47 -47.07 57.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.828 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.12 -34.07 77.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.2 -32.83 61.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -72.15 -40.21 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.43 -33.32 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.2 t -65.61 -30.44 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.31 -54.05 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.64 -31.11 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.551 HG13 ' HA3' ' A' ' 51' ' ' GLY . 40.0 t -78.16 -39.59 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.72 -32.05 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.48 -40.88 85.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -99.11 14.51 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.533 0.206 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.48 -34.03 54.95 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.565 2.177 . . . . 0.0 112.36 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.91 81.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.94 -33.74 64.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -57.65 -40.4 79.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -65.26 -36.77 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -28.63 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.004 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.74 -44.85 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.545 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -68.15 -31.04 70.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.284 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.12 -36.0 66.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.339 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -66.2 -39.48 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -52.87 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.326 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 4.0 tpm_? -67.44 -25.37 65.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.377 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.32 -51.75 19.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.574 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.41 -28.32 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.471 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.77 -39.35 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.069 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -147.89 80.03 9.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.35 157.84 55.8 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.529 2.153 . . . . 0.0 112.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.08 152.59 70.42 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.443 2.095 . . . . 0.0 112.055 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.88 127.1 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.82 -26.82 22.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.7 m -140.16 155.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t -142.79 142.65 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -147.5 103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.535 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.0 151.51 49.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.74 112.24 3.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.413 2.075 . . . . 0.0 112.223 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -87.53 -74.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -113.69 -29.76 7.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 35' ' ' GLN . 28.5 m-80 -69.74 145.82 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -58.31 177.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -57.46 -22.62 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.51 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.98 -38.97 92.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 54.7 mt-30 -118.56 134.14 55.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.6 m0 -116.64 147.7 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.19 107.12 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.69 149.95 39.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.594 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.86 123.72 52.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.14 128.14 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -100.0 149.86 23.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.09 141.99 29.93 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.418 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.45 144.71 23.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.47 2.113 . . . . 0.0 112.21 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -57.98 128.59 37.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.82 1.97 32.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.3 p -120.83 157.72 53.99 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.379 0.133 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 Cg_endo -67.42 -1.45 6.52 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.442 2.095 . . . . 0.0 112.443 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -103.08 -10.08 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -20.2 66.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.9 -32.11 45.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.295 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.62 -171.07 16.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.81 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -135.74 154.22 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -128.61 156.12 43.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.65 143.4 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.589 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -146.15 163.18 36.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.024 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 36' ' ' TRP . 10.4 p -122.37 146.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.42 HG23 HG22 ' A' ' 70' ' ' VAL . 4.1 mp -119.36 110.7 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.007 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.57 125.17 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -101.83 155.56 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.8 p -105.22 144.9 31.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.89 5.09 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.13 -82.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 97.5 m-85 -145.91 154.29 50.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.0 10.51 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.264 1.976 . . . . 0.0 112.438 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.56 -14.46 9.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 30.1 mmmt -63.96 151.56 89.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.734 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.04 120.97 9.25 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.395 2.064 . . . . 0.0 112.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.44 -177.62 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.359 2.039 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.3 113.5 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.448 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 HG23 ' A' ' 57' ' ' ILE . 80.9 t -132.48 134.68 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -166.99 135.64 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.96 132.43 48.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.59 -31.86 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.3 t -95.7 155.07 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.27 150.71 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.664 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -159.45 161.96 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.328 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -143.13 108.24 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.599 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -122.09 160.09 48.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -15.1 23.82 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.492 2.128 . . . . 0.0 112.184 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -153.92 118.65 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.459 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 9.9 p -154.55 159.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.27 169.29 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.62 82.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.08 -2.44 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.22 0.06 59.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -60.92 148.7 38.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.736 0.303 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 87' ' ' ILE . 5.0 mp -91.36 132.09 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.405 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.11 96.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.3 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.576 HD22 ' H ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -118.16 144.31 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.984 0.421 . . . . 0.0 111.122 -179.478 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.82 -15.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.576 ' H ' HD22 ' A' ' 89' ' ' LEU . 13.3 tt -73.3 -20.65 18.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.9 mt -71.44 -29.31 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.94 -163.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -64.74 -2.52 2.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.706 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.34 8.67 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 60.4 t-105 -88.79 148.28 24.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 m -143.98 148.99 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.454 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.41 15.9 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.345 2.03 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.9 m -93.54 -45.37 7.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -67.12 175.2 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -137.98 -171.17 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.8 p -59.65 -22.45 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.4 t -69.78 -32.27 70.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.9 t -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.615 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -71.81 -34.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.486 -179.334 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.471 HD11 ' HA3' ' A' ' 26' ' ' GLY . 24.5 mt -61.65 -49.7 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.339 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.5 p -67.28 -27.81 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 89' ' ' LEU . 74.5 m -63.98 -46.05 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.392 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.77 -44.65 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.07 -35.61 75.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -65.06 -29.23 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.818 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.06 -23.27 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.695 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.78 -43.86 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.708 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.82 -42.69 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.174 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.77 0.238 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -111.91 -20.82 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.419 . . . . 0.0 110.312 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -120.54 111.09 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.652 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 56.7 m -70.83 -28.6 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.379 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -74.22 -45.82 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.233 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.19 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.99 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.582 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.82 -50.78 61.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.147 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.1 -27.38 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.056 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.07 -23.57 63.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -98.53 -60.06 1.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.34 -79.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 136' ' ' GLU . 41.4 m-80 -116.8 96.12 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.95 -20.8 63.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -69.43 -37.44 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 133' ' ' ASN . 10.1 mm-40 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -78.37 -52.06 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.426 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.15 -36.36 75.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -61.13 -33.95 74.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -76.18 -40.35 52.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.27 -35.7 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m -69.28 -30.85 69.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.77 -54.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.529 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 pt -57.15 -41.03 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.743 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.22 -30.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.209 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.1 -32.64 74.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -67.05 -24.87 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.5 m -93.6 -4.55 50.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.548 0.213 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.07 -29.25 40.38 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.68 68.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.21 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HG2' HG12 ' A' ' 33' ' ' ILE . 6.1 tmm_? -66.04 -30.83 71.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.68 -44.71 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -59.57 -43.84 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.6 -28.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.46 -37.29 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -74.97 -28.83 60.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -73.48 -40.32 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.8 -39.78 86.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -51.55 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.654 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 1.2 tpm_? -57.85 -30.35 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.6 -44.37 97.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.97 -45.01 87.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HG3' HH21 ' A' ' 15' ' ' ARG . 8.8 mm-40 -62.38 -25.25 67.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.176 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -160.72 82.22 2.1 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.295 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.47 151.23 25.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.751 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HG3' HD12 ' A' ' 106' ' ' LEU . 55.9 Cg_endo -70.23 141.12 42.5 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.171 1.914 . . . . 0.0 112.244 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.8 137.23 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 -17.19 51.31 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.6 m -144.7 149.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.486 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -128.02 150.1 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.506 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -158.58 85.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.73 152.87 63.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.524 0.202 . . . . 0.0 111.082 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.17 115.71 4.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 112.001 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.8 t -84.93 -87.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -102.96 -5.93 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.568 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -85.15 146.02 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.782 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -61.86 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.257 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG12 ' HG2' ' A' ' 6' ' ' ARG . 9.2 tp -60.15 -26.29 35.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.5 -69.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.522 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.24 140.99 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.44 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.8 m0 -120.43 172.18 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.557 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -125.54 112.9 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.484 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.64 150.51 48.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 111.609 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 3.6 p -136.55 132.06 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.421 ' HA ' HG12 ' A' ' 24' ' ' VAL . 84.8 mt -119.79 128.31 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -101.39 142.83 32.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.72 138.91 48.76 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.447 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.75 159.28 51.21 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.392 2.061 . . . . 0.0 112.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.78 116.12 8.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.2 8.9 10.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.8 p -126.99 157.42 72.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.353 0.121 . . . . 0.0 110.827 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.5 Cg_endo -67.02 -1.53 6.33 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.17 1.913 . . . . 0.0 112.283 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.66 -6.25 20.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.26 -31.82 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.55 -45.83 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.7 171.14 55.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.719 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -125.16 152.14 44.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.667 0.27 . . . . 0.0 110.758 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 145' ' ' VAL . 74.6 m-85 -137.11 137.93 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 111.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 67.7 mttm -122.31 128.35 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.314 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.68 164.14 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.4 p -122.33 143.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.619 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.581 HG13 HG23 ' A' ' 70' ' ' VAL . 4.7 mp -116.09 109.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.5 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.68 123.63 33.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.91 150.55 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -113.3 160.8 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -93.07 10.8 29.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -143.96 151.75 53.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.76 -25.53 79.48 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.52 2.147 . . . . 0.0 112.295 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -98.7 -12.87 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.475 ' HE2' ' HD2' ' A' ' 67' ' ' PRO . 1.5 tpmt? -55.27 131.06 69.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 11.7 Cg_endo -54.88 109.05 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.583 2.189 . . . . 0.0 112.277 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 36.1 Cg_endo -65.27 -173.77 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.299 2.0 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.1 m -129.93 137.38 50.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 57' ' ' ILE . 10.4 p -140.16 149.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -165.69 150.61 8.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -77.89 136.55 38.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.237 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.07 -53.53 10.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.841 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -71.23 -13.62 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 56.35 96.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.494 ' HB2' HD12 ' A' ' 144' ' ' ILE . 20.9 ptm -102.53 164.04 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -87.71 121.22 29.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.239 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.87 156.37 62.26 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.741 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.29 -31.92 34.26 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.153 . . . . 0.0 111.868 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 78.5 m-20 -136.11 119.11 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.72 151.71 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -87.37 163.7 16.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.97 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.02 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.9 -13.55 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.03 2.59 74.41 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.583 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -70.36 150.9 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.01 135.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -70.77 105.86 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -152.44 138.59 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.438 ' H ' HD13 ' A' ' 89' ' ' LEU . 3.7 m-20 -65.23 -19.05 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 89' ' ' LEU . 14.7 tt -73.23 -27.29 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.281 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.48 -26.4 66.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.97 -167.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -69.45 -0.42 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -72.27 -12.0 60.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.619 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -58.26 144.94 39.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 m -131.14 148.5 70.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.1 -7.89 21.29 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.428 2.086 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.9 p -74.3 -35.48 63.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -74.08 173.36 10.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -125.3 -173.78 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.9 -34.63 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.4 p -60.93 -32.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -57.58 -42.77 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -29.97 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.506 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.0 mt -65.84 -54.16 30.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.777 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.0 p -61.97 -28.59 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.5 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -63.97 -48.41 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.44 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.92 -32.61 74.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.678 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 t -65.71 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.834 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.49 -32.1 69.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.93 -45.08 62.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.27 -64.93 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.071 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo . . . . . 0 N--CA 1.463 -0.307 0 CA-C-O 120.825 0.26 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.05 -42.85 6.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 3.4 t-20 -107.14 101.74 11.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.6 p -70.35 -31.22 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.768 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -36.69 84.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.772 0.32 . . . . 0.0 111.311 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.42 -54.82 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.646 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.01 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.399 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.38 -27.17 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.54 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -94.71 -17.81 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -93.34 -79.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.223 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -112.07 99.7 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -72.7 -24.02 60.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.93 -30.17 66.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.03 -27.62 61.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 141' ' ' VAL . 57.9 t80 -75.98 -48.85 19.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.101 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.65 -49.14 77.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.614 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.33 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.18 -32.88 72.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 137' ' ' TYR . 86.8 t -66.89 -45.11 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.2 p -68.78 -30.13 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -52.87 26.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.592 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 76' ' ' MET . 34.6 pt -60.88 -38.55 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.469 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.4 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 82.5 t -69.95 -36.22 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.962 0.411 . . . . 0.0 110.787 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.57 -28.72 70.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.032 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.21 -50.78 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.226 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.2 t -98.64 -80.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.591 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.655 0.264 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.95 -36.53 22.43 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.666 2.244 . . . . 0.0 112.575 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -57.07 -44.85 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -66.75 -51.87 50.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.438 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -60.2 -29.24 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.754 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -42.87 64.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.691 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.92 -29.15 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.558 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.476 ' HB3' HG12 ' A' ' 102' ' ' VAL . 12.5 m-20 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.69 -44.49 96.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -51.55 -39.71 58.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.171 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -79.52 -25.5 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -68.38 -45.27 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.55 -33.45 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.71 -31.87 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.099 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -159.91 88.8 1.91 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HA ' HD13 ' A' ' 16' ' ' LEU . 36.4 Cg_endo -64.93 158.55 50.78 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.5 2.133 . . . . 0.0 112.31 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 21.4 Cg_exo -64.89 159.43 46.06 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.99 126.88 43.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.62 -30.35 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.67 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.39 148.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.207 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.1 t -131.76 144.67 51.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.514 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.96 115.85 0.7 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.776 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.82 151.19 17.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.376 0.132 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.14 114.83 3.17 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.34 2.027 . . . . 0.0 112.234 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -101.08 -75.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -102.12 -44.3 5.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -66.75 145.91 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.7 -173.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 tt -56.37 -27.73 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -59.32 -62.27 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.128 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.05 134.94 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.062 0.458 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.3 m0 -112.44 150.93 30.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.248 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.88 108.87 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.23 149.31 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.622 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -128.97 121.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -110.59 133.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -104.02 133.81 48.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.83 141.49 44.84 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 114' ' ' ASP . 29.9 Cg_endo -63.1 -177.74 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.395 2.063 . . . . 0.0 112.169 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -87.23 163.25 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.749 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.2 21.47 56.63 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.659 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.436 HG21 ' HG2' ' A' ' 43' ' ' PRO . 74.2 p -126.51 155.76 74.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.472 0.136 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.88 -2.97 10.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.183 1.922 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.85 -7.36 22.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.656 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.11 -29.27 68.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.83 -33.86 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.432 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.64 176.33 34.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.087 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.1 p -136.69 143.78 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 0.0 110.741 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -123.82 145.16 49.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 111.32 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -120.14 136.5 54.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.496 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.68 164.46 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.491 -179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.1 p -122.8 138.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -107.43 110.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.59 139.24 36.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.0 138.91 49.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.572 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -108.25 124.39 50.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.36 94.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.62 -78.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.73 154.25 58.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.81 -7.88 20.84 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.391 2.06 . . . . 0.0 112.409 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -119.97 9.72 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -82.25 131.77 55.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.73 135.3 66.8 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.306 2.004 . . . . 0.0 112.316 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.33 -179.39 5.36 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.454 2.102 . . . . 0.0 112.505 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.01 114.38 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 87' ' ' ILE . 7.9 p -127.1 144.6 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -156.87 149.93 23.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE2' HD12 ' A' ' 55' ' ' LEU . 53.2 m-85 -71.01 144.65 50.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.89 -37.97 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -94.73 177.49 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.983 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 11.3 mmpt? -72.53 135.68 45.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.78 160.73 42.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -138.89 115.96 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -129.92 157.79 75.8 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.95 -25.32 79.21 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.507 2.138 . . . . 0.0 112.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -135.24 119.45 17.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.25 147.84 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.54 -171.86 3.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.14 11.51 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.02 80.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.415 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -65.4 152.95 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.7 0.285 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -92.68 139.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.8 t -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -145.65 139.59 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' H ' HD13 ' A' ' 89' ' ' LEU . 7.2 m-20 -61.55 -25.86 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 89' ' ' LEU . 18.9 tt -69.42 -21.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.71 -18.09 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.42 -163.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.797 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.37 -4.16 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -75.99 -13.89 60.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -58.27 145.12 38.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.5 m -137.4 147.27 57.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.606 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.43 -5.43 17.11 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.356 2.037 . . . . 0.0 112.554 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -76.42 -35.13 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -68.32 178.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.68 177.74 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 12' ' ' ASP . 9.0 p -61.11 -21.98 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.697 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.3 t -68.74 -33.66 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -68.43 -50.25 54.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.391 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -34.37 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.272 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.68 -43.43 97.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.4 p -74.49 -27.29 60.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -61.19 -36.1 78.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.39 -40.15 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.81 -42.7 99.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 112' ' ' LEU . 2.8 tm? -58.62 -39.38 80.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.341 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.04 -44.23 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.441 ' HB2' ' HG3' ' A' ' 43' ' ' PRO . 17.3 t70 -57.22 -52.61 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.159 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.532 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.257 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo . . . . . 0 C--O 1.23 0.098 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.97 -41.6 9.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.26 111.9 24.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 p -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.561 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.08 -53.08 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.488 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.38 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.8 76.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.668 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.63 -48.97 62.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.576 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -63.32 -35.61 80.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -98.99 -12.87 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.501 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -97.06 -76.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -114.3 102.53 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.73 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -69.55 -28.97 66.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -61.74 -33.63 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.289 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.72 -28.1 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.355 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -74.38 -49.69 21.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.77 -45.16 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.376 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -58.39 -33.14 69.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.32 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 140' ' ' ARG . 3.6 mmp_? -71.69 -35.06 70.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.25 -50.97 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.3 t -68.14 -30.3 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -56.12 12.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 40.2 pt -59.22 -32.99 49.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.752 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.83 -38.33 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.97 -42.99 95.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.13 -34.85 77.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.7 t -99.63 15.14 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.818 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.599 0.238 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.98 -33.69 62.02 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.585 2.19 . . . . 0.0 112.279 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.68 86.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 10' ' ' MET . 79.9 ttt180 -63.35 -53.64 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.88 -39.39 91.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.435 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 29.2 mmt180 -63.57 -50.64 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -65.1 -30.81 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 74.2 mtp -60.27 -31.18 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -67.16 -30.41 70.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.421 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.31 -30.7 71.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.17 -49.92 70.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -36.62 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.125 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -68.72 -32.04 71.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.2 -46.77 88.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.85 -34.86 73.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.43 -50.66 72.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -140.31 80.53 19.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.689 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 33.8 Cg_endo -64.37 139.85 67.21 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.551 2.167 . . . . 0.0 112.292 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.3 Cg_exo -64.36 145.97 89.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.456 2.104 . . . . 0.0 112.145 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.31 135.17 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.13 -17.67 49.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.678 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 ' HB ' HD12 ' A' ' 106' ' ' LEU . 31.4 m -141.27 144.88 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 111.55 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -123.46 156.33 35.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.352 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 98.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.673 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.54 152.66 27.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.471 0.177 . . . . 0.0 111.063 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.31 110.23 2.61 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.475 2.117 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 t -86.85 -79.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -116.48 -15.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 16.3 m120 -78.08 146.9 34.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.33 178.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.791 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 9' ' ' LEU . 9.0 tp -62.39 -32.57 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.58 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -77.85 1.89 18.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.579 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 45.8 tt0 -144.06 112.1 6.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 111.03 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.454 ' O ' HG23 ' A' ' 56' ' ' VAL . 19.6 m0 -108.44 152.78 24.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -102.89 112.67 25.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -127.83 149.99 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.436 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.2 121.33 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HA ' HG12 ' A' ' 24' ' ' VAL . 72.1 mt -104.78 126.54 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.325 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -93.58 137.28 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.58 136.45 41.88 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HD3' HD12 ' A' ' 113' ' ' LEU . 59.1 Cg_endo -71.89 137.22 29.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.68 112.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.85 -6.74 6.14 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -115.56 158.35 41.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.29 0.09 . . . . 0.0 110.817 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.51 -1.19 3.64 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.234 1.956 . . . . 0.0 112.548 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.63 -13.88 16.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -20.72 65.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.38 -27.26 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.687 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -125.39 -169.15 12.86 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.828 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.3 p -132.24 166.94 20.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.71 0.29 . . . . 0.0 110.69 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -144.01 139.05 28.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.0 123.25 45.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.25 163.49 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.24 -179.728 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 73' ' ' LEU . 7.2 p -117.05 141.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 mp -112.14 109.78 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.69 132.59 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -109.74 151.15 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -101.56 145.19 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.75 11.87 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.45 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.004 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 82.6 m-85 -147.11 154.37 46.28 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 57.3 Cg_endo -71.75 4.38 3.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.473 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -113.99 -17.05 12.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.026 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 45.2 mmtm -64.9 153.86 87.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 37.9 Cg_endo -66.37 114.01 2.89 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.51 2.14 . . . . 0.0 112.201 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 31.8 Cg_endo -64.05 179.63 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.465 2.11 . . . . 0.0 112.608 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.15 136.76 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.34 138.69 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -152.93 140.13 19.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.35 154.93 36.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 ' HB ' ' A' ' 56' ' ' VAL . 95.6 mt -111.77 -38.13 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -87.12 24.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 62.56 162.65 0.09 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -162.61 164.2 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -141.36 107.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -129.16 155.98 79.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.55 -25.97 80.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.53 2.154 . . . . 0.0 112.047 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 122' ' ' ALA . 71.7 m-20 -133.01 118.28 18.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.53 151.32 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.688 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.63 161.78 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.41 -13.58 59.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.12 1.6 62.79 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -65.52 152.66 43.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.2 mp -82.73 135.56 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 79.2 m -78.59 101.67 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.99 143.43 31.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.36 -23.28 54.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 16.3 tt -69.63 -22.6 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.17 -10.3 47.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.92 -158.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.86 -12.28 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -74.17 -10.76 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.058 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 57.9 t-105 -57.8 134.91 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 70.2 m -122.68 145.93 46.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 11.4 Cg_exo -71.17 -1.14 9.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.658 2.238 . . . . 0.0 112.603 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 t -80.51 -26.04 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.564 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -75.67 -179.02 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.65 -173.71 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.26 -25.14 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.8 m -71.04 -32.47 69.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.223 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.2 t -62.36 -51.89 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.518 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.62 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.156 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -62.7 -52.67 62.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.9 p -71.85 -27.45 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.511 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.0 m -58.07 -48.61 79.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.6 -36.88 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -62.01 -32.91 73.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.719 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.0 m -64.43 -29.63 70.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.25 -24.11 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.52 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -82.24 -44.7 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.822 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.9 -36.6 59.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.296 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.856 0.273 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 80' ' ' ASN . . . -106.52 -37.45 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -111.12 108.36 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.5 m -69.68 -30.73 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.19 -52.29 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 111.156 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.12 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.42 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.65 -34.97 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -73.13 -44.67 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.65 -27.51 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.89 -39.4 93.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.69 -10.28 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.171 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.5 -80.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -116.57 98.25 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -69.35 -23.37 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.24 -35.49 79.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -74.63 -27.31 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -75.62 -41.58 53.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.272 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.19 -33.68 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.91 -32.1 67.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -73.02 -44.56 60.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.78 -37.18 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.9 p -71.58 -30.48 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -55.91 9.45 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 38.7 pt -56.25 -31.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 51' ' ' GLY . 31.1 t -79.26 -31.99 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.49 -43.19 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.26 -31.23 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.309 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.0 m -101.06 13.48 35.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.62 -32.24 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.438 2.092 . . . . 0.0 112.178 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.73 75.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 3' ' ' THR . 4.2 tmm_? -66.11 -48.6 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.042 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.76 -33.8 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.677 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -63.9 -46.4 85.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.113 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.46 -28.79 63.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.54 -39.6 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -73.33 -31.69 64.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.031 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.6 -40.08 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.267 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -68.55 -32.46 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.019 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -69.48 -39.82 77.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -79.84 -25.46 40.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.48 -43.36 73.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.344 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.96 -30.08 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.359 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 13.8 mm-40 -64.82 -51.05 64.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.802 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.04 82.87 8.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.51 158.15 47.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.497 2.132 . . . . 0.0 112.294 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.12 157.66 56.19 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.485 2.124 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.28 141.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.63 -23.19 7.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.1 m -140.09 158.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.9 t -141.48 144.41 34.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -149.13 117.31 0.86 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.57 151.5 15.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.502 0.192 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.8 115.1 3.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.494 2.129 . . . . 0.0 112.345 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 m -99.78 -71.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -82.67 -63.79 1.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -65.39 146.53 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.53 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.0 tt -123.9 -27.69 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -51.83 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 143.82 26.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -119.88 144.02 47.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.284 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.82 113.1 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.85 149.88 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.305 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -128.23 128.71 68.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.497 ' HA ' HG12 ' A' ' 24' ' ' VAL . 77.1 mt -116.51 125.72 73.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -98.23 140.42 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.59 139.61 48.08 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.703 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' HD12 ' A' ' 113' ' ' LEU . 69.3 Cg_endo -74.58 153.18 43.84 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.504 2.136 . . . . 0.0 112.398 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.21 115.6 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.17 16.78 5.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -135.76 157.43 76.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.416 0.15 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.77 0.6 3.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.599 2.199 . . . . 0.0 112.18 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.12 -8.8 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.61 -28.26 65.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.02 -20.74 30.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.483 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -108.29 178.74 21.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.876 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.2 p -135.31 146.43 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -129.47 149.63 51.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -126.84 138.99 53.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.91 164.32 29.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.07 137.49 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.879 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -108.99 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -91.62 125.05 36.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.99 146.53 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 m -112.99 134.13 54.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.42 11.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.625 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -57.2 -80.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.257 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -141.48 155.58 67.19 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.26 -9.73 26.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.51 2.14 . . . . 0.0 112.313 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -110.07 -14.32 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.76 130.81 85.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.42 135.14 64.74 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.392 2.062 . . . . 0.0 112.482 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.57 174.29 12.0 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.496 2.13 . . . . 0.0 112.33 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 140.66 50.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.09 143.79 17.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -158.62 144.21 16.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.038 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.57 142.3 50.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -79.81 -32.72 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 m -97.06 155.01 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 17.2 tptp -71.26 115.9 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 144' ' ' ILE . 63.3 ttp -124.16 143.79 50.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.018 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' H ' HD13 ' A' ' 144' ' ' ILE . 71.2 t80 -103.41 110.58 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -130.47 138.74 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -46.65 -29.02 7.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.93 2.42 . . . . 0.0 112.911 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -131.57 118.57 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.25 156.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -96.78 171.85 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.76 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.7 -3.75 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.91 75.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.406 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.6 m -70.56 -178.29 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.658 0.266 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.47 138.41 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.47 93.78 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -107.17 150.09 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.523 ' H ' HD13 ' A' ' 89' ' ' LEU . 29.9 t70 -75.1 -8.39 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 89' ' ' LEU . 15.3 tt -73.07 -16.9 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.51 -8.42 59.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -85.17 -155.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -62.86 -11.74 20.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.31 -8.3 57.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -62.06 140.32 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.5 m -123.44 146.55 50.04 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.11 -30.79 8.45 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.412 2.075 . . . . 0.0 112.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 30.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.723 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -55.18 169.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -137.2 147.14 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.48 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.2 t -56.89 -31.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.86 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.5 t -65.35 -46.6 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -61.11 -30.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.739 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' HA3' ' A' ' 26' ' ' GLY . 85.7 mt -73.64 -49.29 26.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -64.29 -27.74 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -66.69 -46.07 76.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -72.95 -36.14 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.45 -36.67 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.055 0.455 . . . . 0.0 110.595 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.7 m -68.93 -29.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.83 -28.51 64.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.772 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.417 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -75.39 -44.02 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.401 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.81 -66.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.887 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.261 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.77 -29.52 14.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.805 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 47.7 t-20 -121.3 118.53 29.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.372 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -69.8 -49.55 51.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.543 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -61.47 -47.87 83.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.53 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -54.52 -49.67 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.628 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.36 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.421 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.17 -32.33 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.335 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.99 -27.15 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.12 -28.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.38 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.62 -43.71 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.28 -78.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -112.76 91.29 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 4.7 ttpm? -66.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -32.51 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.31 -27.23 61.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.09 -50.5 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.45 -35.94 75.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -67.81 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -71.67 -33.36 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.93 -48.48 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.345 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.5 m -66.65 -30.42 70.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.35 3.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 76' ' ' MET . 43.2 pt -56.6 -31.96 35.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.784 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.499 HG13 ' HA3' ' A' ' 51' ' ' GLY . 41.5 t -72.44 -46.28 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 41.2 mt-10 -62.57 -34.22 76.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.662 0.268 . . . . 0.0 111.384 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.33 -45.41 80.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.4 m -95.21 13.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' TRP . . . . . 0.462 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 5.4 t90 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 9.8 Cg_endo -79.21 -32.48 1.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.329 2.019 . . . . 0.0 111.997 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.54 -34.08 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.105 0.478 . . . . 0.0 110.299 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' HG22 ' A' ' 3' ' ' THR . 52.3 mtp180 -66.45 -50.71 62.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.971 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.507 ' HE ' ' HA ' ' A' ' 4' ' ' PRO . 83.9 mtm180 -59.95 -34.4 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -59.46 -49.83 76.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.23 -36.28 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtt -66.73 -36.25 82.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -66.24 -33.05 74.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.631 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.99 -30.58 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -69.95 -50.29 43.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.222 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -32.26 72.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -79.49 -25.46 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -73.44 -44.44 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.55 -40.47 95.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.578 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.56 -21.32 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.37 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -170.77 85.16 0.52 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.386 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.98 162.53 26.27 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.618 2.212 . . . . 0.0 112.281 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.3 142.11 26.59 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.489 2.126 . . . . 0.0 112.15 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.32 128.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.96 -23.68 30.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.658 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG12 HG23 ' A' ' 40' ' ' ILE . 20.0 m -140.59 139.51 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.695 0.284 . . . . 0.0 111.35 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -115.19 142.39 46.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.41 90.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.585 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.32 155.25 61.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.47 0.176 . . . . 0.0 111.062 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.39 120.06 6.95 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.379 2.052 . . . . 0.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 m -115.98 93.96 4.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.52 -4.49 0.56 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -95.47 146.12 24.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.92 163.37 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -57.45 -22.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.31 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -92.87 132.33 37.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -119.59 153.08 36.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -103.68 129.16 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.99 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.25 150.8 35.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.0 111.692 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 54' ' ' LYS . 7.3 p -136.36 134.5 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.739 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.416 HG23 HG12 ' A' ' 24' ' ' VAL . 83.1 mt -117.54 130.14 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -97.78 133.91 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.96 149.02 22.55 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' HD12 ' A' ' 113' ' ' LEU . 52.3 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.465 2.11 . . . . 0.0 112.403 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.14 120.59 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.4 14.49 12.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 75.3 p -127.05 158.19 69.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.983 -0.128 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 44.1 Cg_endo -68.19 3.7 1.94 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.39 2.06 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.2 -10.54 14.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.784 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.17 -28.86 63.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.96 -27.31 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.382 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.42 174.11 29.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.901 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.6 p -133.26 129.81 38.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -115.37 135.97 53.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.19 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 39' ' ' VAL . 8.6 mtmm -111.88 147.61 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.588 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -145.02 164.38 31.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.349 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.0 139.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.983 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -114.06 115.96 51.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -101.68 138.47 38.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -116.6 155.88 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -103.89 134.32 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.683 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.89 -8.14 26.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.366 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.33 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.785 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -148.13 148.88 30.88 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.39 -15.87 52.05 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.564 2.176 . . . . 0.0 112.541 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.22 -25.07 20.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.519 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.2 147.54 17.76 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 71.8 Cg_exo -51.9 110.22 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.435 2.09 . . . . 0.0 112.36 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 39.1 Cg_endo -66.4 160.43 45.55 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.408 2.072 . . . . 0.0 112.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 m -122.4 118.15 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 HD13 ' A' ' 87' ' ' ILE . 9.4 p -136.77 141.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -156.94 153.53 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.99 141.66 38.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.0 -36.38 30.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.275 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -86.01 171.67 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.747 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -94.17 119.09 32.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.047 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.1 ptm -128.92 162.89 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.47 ' H ' HD13 ' A' ' 144' ' ' ILE . 58.0 t80 -118.52 108.05 14.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.593 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -119.1 138.15 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.18 -24.24 14.61 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.591 2.194 . . . . 0.0 112.321 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -140.38 118.31 11.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.427 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -154.76 158.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -86.02 176.83 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.26 69.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.383 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.47 -14.19 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.57 10.98 34.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.614 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -65.18 160.27 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.459 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -96.11 143.0 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.79 110.28 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -144.77 143.98 30.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.756 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.529 ' H ' HD13 ' A' ' 89' ' ' LEU . 5.1 p-10 -70.62 -24.51 62.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.545 HG22 HD12 ' A' ' 89' ' ' LEU . 15.3 tt -69.88 -22.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -70.82 -29.23 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.044 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.45 -163.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -64.77 -4.89 4.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.306 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.9 -6.41 44.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.59 141.27 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.7 m -129.02 150.02 74.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.03 12.79 2.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.54 2.16 . . . . 0.0 112.703 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.6 p -97.92 -16.47 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.11 160.32 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -107.7 -172.81 2.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.79 -22.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -70.37 -32.61 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.6 t -57.12 -51.64 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.204 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -27.96 34.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.91 -46.3 85.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -74.63 -28.79 61.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.542 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.0 m -57.03 -48.64 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.225 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.32 -38.04 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.77 -35.2 77.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.4 t -70.84 -29.32 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.017 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.74 -26.89 64.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.423 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -76.3 -41.34 48.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.97 -62.15 2.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.931 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.716 0.215 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.427 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -104.49 -16.66 15.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 19.9 t-20 -134.58 100.44 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.43 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 76.0 p -66.44 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.46 -50.84 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -56.43 -47.12 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.3 75.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.56 -51.33 69.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.11 -30.94 70.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.361 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -57.35 -33.7 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -104.08 -15.07 15.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -96.34 -76.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -102.47 83.68 2.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.08 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 8.1 mtpm? -66.41 -27.54 67.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -70.38 -30.68 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.407 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -79.08 -27.69 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -74.88 -45.55 42.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.47 -51.92 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.173 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -57.07 -31.99 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.55 -35.84 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.079 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 145' ' ' VAL . 60.4 t -60.04 -46.78 93.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.0 t -70.59 -30.22 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.283 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.55 -57.46 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.61 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 77' ' ' PHE . 35.6 pt -59.21 -40.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.433 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.2 t -64.47 -48.27 85.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.431 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.01 -35.84 59.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.661 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -64.33 -43.39 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.9 t -98.95 15.71 24.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.1 t90 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.56 -29.67 90.48 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.654 2.236 . . . . 0.0 112.444 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.89 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.65 -52.98 62.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.83 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.357 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -36.32 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 55.2 mtt -57.28 -39.5 75.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.826 0.346 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -59.89 -30.21 68.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -62.55 -48.47 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -55.42 -40.83 71.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 0.0 109.937 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -63.44 -31.7 72.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.022 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.24 -42.26 84.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.7 -39.52 80.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.235 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.19 -35.06 78.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.148 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -163.39 89.25 1.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.511 ' HA ' HD13 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -65.81 157.04 61.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.189 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HG3' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -59.64 154.09 51.12 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 112.053 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.99 137.49 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.78 -22.63 8.83 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.381 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 40' ' ' ILE . 18.9 m -139.7 167.9 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 p -146.66 133.92 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.555 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -143.93 111.17 0.61 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.6 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.56 154.27 22.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.62 109.56 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.324 2.016 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.3 p -70.61 -62.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.73 -33.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -62.81 146.75 51.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.669 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -48.29 167.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' HE1' ' A' ' 36' ' ' TRP . 19.5 tt -58.08 -18.69 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.741 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.8 mtp -74.72 -2.45 26.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.338 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -147.32 115.42 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.69 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' HE1' HG13 ' A' ' 33' ' ' ILE . 13.6 m0 -111.17 139.42 46.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -104.05 124.34 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.22 150.17 48.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 0.0 111.646 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -119.8 109.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.492 ' HA ' HG12 ' A' ' 24' ' ' VAL . 61.8 mt -103.83 134.11 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -105.06 130.74 53.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.25 144.34 42.75 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.49 155.6 59.39 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.417 2.078 . . . . 0.0 112.367 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.09 118.56 14.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.52 16.61 6.42 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.515 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 66.7 p -131.54 159.52 71.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.318 0.104 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.9 Cg_endo -66.83 2.95 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.201 1.934 . . . . 0.0 112.412 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.7 -7.23 16.46 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.93 -31.56 72.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.495 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.5 2.49 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.552 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.54 179.83 18.37 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -131.18 161.02 33.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -139.81 159.33 42.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -135.05 134.9 40.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.685 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.38 164.13 29.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.313 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 p -119.72 134.41 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -107.54 110.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.69 144.5 25.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.93 133.07 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -96.47 140.83 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.96 9.39 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.67 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -144.17 154.05 57.19 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.92 -19.61 64.05 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.45 2.1 . . . . 0.0 111.958 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HA ' ' HE1' ' A' ' 96' ' ' TRP . 26.0 t-20 -95.74 -15.86 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 51.8 tptt -60.79 128.93 89.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 24.5 Cg_endo -61.72 115.8 3.02 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.295 1.997 . . . . 0.0 112.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.69 178.85 0.6 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.365 2.043 . . . . 0.0 112.247 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 m -125.32 120.36 30.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -128.69 146.05 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -160.89 150.85 17.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.8 136.18 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.17 -45.06 16.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -86.1 169.86 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -57.94 135.63 56.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -145.7 160.25 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.072 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -148.9 111.37 4.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -131.73 156.03 80.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.76 -22.68 74.11 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.398 2.065 . . . . 0.0 112.316 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -130.93 118.35 20.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 123' ' ' ASN . 9.2 p -154.83 161.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.66 172.02 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.868 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.99 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.61 -11.77 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.5 1.64 60.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.695 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -65.96 169.74 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -105.0 149.65 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.57 104.74 15.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.4 mp -119.98 126.48 50.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.33 -18.72 61.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.285 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 tt -70.28 -24.27 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.738 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.2 -20.37 51.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -71.26 -160.82 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.83 -10.2 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -82.14 9.25 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.455 ' HE1' ' HA ' ' A' ' 65' ' ' ASN . 56.7 t-105 -80.75 145.93 31.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 t -137.02 145.74 51.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.96 -3.76 8.91 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.355 2.037 . . . . 0.0 112.061 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.2 m -80.58 -46.36 15.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.51 143.57 23.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -124.24 -171.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.329 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 105' ' ' ILE . 62.5 t -56.79 -26.62 24.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.9 m -69.05 -32.36 71.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.4 m -73.19 -48.21 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.075 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.36 -37.99 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.664 0.269 . . . . 0.0 111.515 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.555 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.9 mt -67.96 -52.01 40.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.6 p -60.96 -27.31 68.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.365 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.9 m -67.22 -48.49 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.6 -39.2 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.26 -46.32 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.5 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -68.77 -29.1 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.69 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.59 -36.86 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 35.4 t70 -57.12 -62.79 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.2 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.414 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 39.0 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.311 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.233 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -90.72 -28.03 18.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.416 ' HB2' HG12 ' A' ' 81' ' ' VAL . 9.4 t-20 -123.36 100.27 6.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.249 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.0 t -65.22 -31.23 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.003 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.54 -49.72 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 111.626 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.85 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.908 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.84 87.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.595 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.33 -45.65 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 132' ' ' GLU . 89.5 mt -62.58 -26.93 68.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.19 -37.19 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -103.22 -31.49 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.212 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 129' ' ' LEU . 21.4 mm-40 -69.27 -75.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.37 99.56 6.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -69.68 -28.89 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.97 -34.36 77.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.62 -27.53 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -71.88 -48.26 47.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.22 -34.08 74.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.443 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.7 -30.33 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -74.52 -45.13 47.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.98 -33.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.5 p -71.49 -30.67 66.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.38 14.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.4 pt -56.69 -32.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 52.5 t -79.06 -36.63 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.32 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.28 -44.42 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.25 -29.33 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.0 m -104.07 10.01 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 2.2 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.75 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -80.2 -31.24 1.78 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.435 2.09 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.511 ' H ' HG23 ' A' ' 3' ' ' THR . . . -61.67 -33.84 74.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.37 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -73.1 -40.21 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -62.55 -40.09 95.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -62.66 -46.14 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.74 -33.73 64.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 67.6 mtt -62.01 -41.4 98.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.62 -29.41 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 102' ' ' VAL . 22.5 m-20 -72.22 -43.48 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -65.19 -36.33 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.334 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -66.62 -34.53 78.09 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -79.42 -30.06 42.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -34.64 76.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.97 -34.97 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.36 -40.74 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.304 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -157.19 86.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 153.34 78.3 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.101 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 103' ' ' SER . 19.5 Cg_endo -61.35 157.58 39.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.345 2.03 . . . . 0.0 112.229 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.57 143.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.71 -3.75 11.5 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.751 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 106' ' ' LEU . 9.5 p -157.03 150.5 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -139.4 134.54 32.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.562 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -139.45 119.52 1.7 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.82 150.88 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.405 0.145 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.14 116.19 4.61 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 112.267 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -97.59 -86.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.86 -19.81 17.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -81.77 145.74 30.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -61.38 179.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -56.71 -22.24 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.769 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.2 mtp -61.03 -58.98 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -103.78 147.36 27.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.098 0.475 . . . . 0.0 111.26 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -122.23 148.81 44.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.655 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -100.82 107.52 19.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.24 148.39 45.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.87 126.29 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.65 135.15 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.317 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -109.76 128.05 55.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.91 141.54 24.06 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.75 171.7 11.72 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.385 2.057 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.93 120.7 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.15 10.33 13.97 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.587 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 73.0 p -125.17 157.77 66.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.37 0.129 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HB2' HG11 ' A' ' 141' ' ' VAL . 38.2 Cg_endo -67.07 -1.84 6.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.226 1.951 . . . . 0.0 112.046 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -101.98 -7.86 22.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.35 -34.27 73.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.07 -2.6 58.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -122.0 177.24 16.47 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.754 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -136.8 153.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.071 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -137.97 153.91 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -127.95 151.71 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -156.08 153.92 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.65 147.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.337 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -119.11 112.78 39.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -99.64 124.47 44.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.15 145.78 28.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -98.0 140.54 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.01 1.38 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.19 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.75 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.595 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 66.5 m-85 -148.68 152.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.703 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 15.5 Cg_exo -68.16 -8.36 22.57 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.7 2.267 . . . . 0.0 112.881 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -105.56 -5.01 20.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.595 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 32.2 mmtp -72.68 149.86 90.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.847 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.18 111.54 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.624 2.216 . . . . 0.0 112.444 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.5 -176.72 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.422 2.081 . . . . 0.0 112.395 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -131.15 116.17 17.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 62.1 t -137.39 142.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.136 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -168.14 143.07 3.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.78 120.99 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.56 -29.38 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.408 . . . . 0.0 110.265 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 p -84.5 169.61 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -78.39 122.58 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.61 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.53 163.7 32.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.474 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -142.08 114.47 8.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.429 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -124.26 156.64 66.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.28 -15.45 49.63 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.512 2.142 . . . . 0.0 112.302 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -147.64 118.26 7.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 12.2 p -154.97 150.42 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.667 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.14 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.71 -15.61 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.672 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.63 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 t -81.36 151.1 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.313 . . . . 0.0 110.793 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp -76.65 133.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.1 t -78.19 106.59 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -148.39 141.36 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.604 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.07 -15.73 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.454 HG22 ' HB3' ' A' ' 89' ' ' LEU . 19.7 tt -72.3 -30.72 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.8 mt -75.06 -7.15 52.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -80.78 -162.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -67.25 -4.91 11.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -78.94 -13.5 59.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.105 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 62.7 t-105 -58.95 143.45 48.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 m -134.45 147.26 62.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.06 -2.54 12.17 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.245 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -75.08 -37.55 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.62 169.28 11.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -120.63 -174.15 2.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.32 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 12' ' ' ASP . 87.1 t -63.08 -26.24 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.177 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 21' ' ' PRO . 50.4 m -69.78 -32.2 70.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -63.97 -51.87 62.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.748 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -33.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.316 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.562 HD11 ' HA3' ' A' ' 26' ' ' GLY . 63.5 mt -67.36 -50.22 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.1 p -64.09 -27.46 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.7 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 p -62.5 -47.82 82.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.49 -39.19 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.3 -40.0 80.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -71.67 -29.35 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.4 tm? -55.31 -34.31 64.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.583 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.58 -42.61 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.767 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.86 -33.62 73.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.045 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -179.804 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.807 0.253 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -112.21 -25.55 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -116.77 105.3 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -66.78 -36.64 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.298 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 -47.27 84.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.45 54.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.28 75.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.44 -45.33 84.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.235 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.56 -27.2 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.14 -36.38 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.429 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -95.86 -11.69 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.174 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -96.7 -73.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.928 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -123.44 100.75 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.38 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -57.66 -42.56 83.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -35.21 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.43 -47.56 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.29 -30.57 70.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -76.17 -31.81 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 47' ' ' PRO . 59.8 t -71.66 -48.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.9 p -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.28 -55.66 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.712 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 47.3 pt -60.12 -32.36 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.767 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.437 HG13 ' HA3' ' A' ' 51' ' ' GLY . 54.8 t -71.56 -46.39 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.98 -32.6 73.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.317 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.75 -38.47 73.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.0 t -101.5 15.41 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.657 -179.824 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t -122.78 167.84 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.48 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.67 165.08 8.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.173 -179.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -80.0 -31.92 1.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.365 2.043 . . . . 0.0 111.857 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 3' ' ' THR . . . -61.82 -33.97 75.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -68.85 -45.53 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.113 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HD3' HH21 ' A' ' 11' ' ' ARG . 42.4 ttm180 -59.03 -42.27 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.039 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -58.95 -44.15 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.17 -29.95 67.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.55 -32.76 64.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.456 HH21 ' HD3' ' A' ' 7' ' ' ARG . 97.5 mtt180 -74.83 -28.37 60.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.745 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.02 -37.63 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.245 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.06 -53.09 62.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.247 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -38.55 83.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.47 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -66.73 -26.7 67.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -71.45 -35.51 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -69.8 -33.69 72.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -64.15 -39.17 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -162.3 84.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.61 155.65 44.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.585 2.19 . . . . 0.0 112.312 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.6 137.57 46.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.376 2.05 . . . . 0.0 112.182 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.41 132.76 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.63 -27.95 17.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.716 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 40' ' ' ILE . 16.9 m -138.65 143.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 111.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.7 m -123.5 141.82 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.94 89.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.581 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.2 53.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.505 0.193 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.56 128.61 12.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.552 2.168 . . . . 0.0 112.28 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 t -96.76 -89.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.7 -36.02 9.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 35' ' ' GLN . 7.1 p30 -60.33 146.18 45.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.791 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.34 176.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.389 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.63 -22.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.391 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -63.63 -61.04 2.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . 35.1 tt0 -91.35 134.33 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -118.43 160.78 21.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.79 110.74 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.287 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.18 149.79 50.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 111.703 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.99 136.69 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 82.6 mt -121.7 129.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.089 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.46 145.31 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.592 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.34 142.38 42.77 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HD3' HD12 ' A' ' 113' ' ' LEU . 29.4 Cg_endo -62.5 173.98 3.12 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.48 2.12 . . . . 0.0 112.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.59 129.83 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.26 26.44 23.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.5 p -135.25 158.49 74.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.396 0.141 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HB2' HG11 ' A' ' 141' ' ' VAL . 17.0 Cg_exo -66.73 -1.42 5.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.444 2.096 . . . . 0.0 112.249 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.2 -9.91 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.65 -39.27 67.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.988 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.35 -21.61 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.88 169.23 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.987 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -132.85 137.1 46.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -133.01 133.51 43.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 54' ' ' LYS . 10.9 mptt -114.32 139.82 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.134 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.77 155.72 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.94 141.67 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.509 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.33 109.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.587 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.5 123.78 33.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -100.71 163.86 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.9 p -127.78 151.99 48.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.64 9.48 9.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -60.63 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 66' ' ' LYS . 99.0 m-85 -144.27 152.55 54.35 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.43 -12.64 34.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.599 2.199 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -117.42 4.8 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 63' ' ' TYR . 23.2 tptm -74.44 130.88 81.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.02 109.15 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.478 2.118 . . . . 0.0 112.396 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.0 -172.0 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.424 2.083 . . . . 0.0 112.524 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.6 m -130.79 135.03 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.4 146.8 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -162.9 148.18 11.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -75.21 139.76 42.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.74 -31.65 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.803 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 m -96.09 124.33 40.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.76 109.17 5.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' A' ' 144' ' ' ILE . 25.8 mmt -133.91 163.94 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.187 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.515 ' H ' HG21 ' A' ' 144' ' ' ILE . 45.3 t80 -85.01 129.26 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -135.67 157.46 76.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 30.8 Cg_endo -62.96 -28.54 75.14 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.616 2.211 . . . . 0.0 112.23 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -147.72 119.62 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -153.55 146.51 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -87.11 172.53 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.69 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -88.46 -11.2 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.74 -0.29 60.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 m -66.6 167.02 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.781 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.1 mp -105.34 143.52 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.26 153.95 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -63.15 -22.95 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.6 mt -71.69 -33.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.06 -25.39 63.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -82.98 -169.26 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.18 -0.21 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -72.3 -11.44 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.058 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -61.23 127.24 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 m -99.0 138.43 20.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.42 2.6 7.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.437 2.091 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.7 m -81.55 -39.98 23.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -75.92 174.2 10.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.06 -175.74 2.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.208 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.14 -27.77 42.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -56.23 -32.67 64.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -61.22 -35.4 77.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -32.44 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.723 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.33 -43.98 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.7 p -73.9 -27.28 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -60.5 -47.46 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.9 mt -72.52 -34.77 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -57.88 -43.99 86.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -70.24 -29.64 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 112' ' ' LEU . 2.1 tm? -58.21 -38.54 76.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.145 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' HD3' ' A' ' 43' ' ' PRO . 2.7 mt -59.76 -43.2 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.9 -53.66 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.43 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -154.74 112.59 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.153 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.32 177.68 7.58 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.308 2.005 . . . . 0.0 112.281 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -104.35 109.86 63.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.83 -7.41 11.21 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.4 2.067 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -74.58 101.14 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t 56.7 75.07 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -78.86 149.57 23.14 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.349 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.19 -41.8 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -112.06 93.3 4.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -64.55 -27.4 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.783 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.61 -48.2 82.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.245 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -72.92 -46.99 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.27 64.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.263 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.96 -50.57 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.33 -27.01 61.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -61.66 -34.7 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -104.01 -11.49 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.69 -73.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -121.49 106.17 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.4 -27.47 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.794 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -29.72 67.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -81.42 -28.94 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -78.9 -45.64 20.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.404 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.18 -40.11 76.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.273 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.43 -32.37 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.66 -30.56 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 47' ' ' PRO . 87.3 t -72.83 -54.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.507 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.0 m -62.65 -30.38 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.06 -53.55 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.574 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.515 HG21 ' H ' ' A' ' 77' ' ' PHE . 45.3 pt -64.19 -35.46 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.621 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.59 -38.93 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -36.16 72.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.41 -40.16 95.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.433 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.4 t -105.38 16.6 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.127 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -80.8 -42.1 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -137.77 122.61 18.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.31 -24.92 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.929 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m 59.65 103.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -142.15 154.96 65.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.382 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.57 -31.48 60.09 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.75 2.3 . . . . 0.0 112.544 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . . . -71.64 -43.87 65.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.4 -30.04 70.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 41.7 mmt180 -70.57 -35.96 73.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -71.0 -30.76 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.15 -43.54 98.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.358 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 7' ' ' ARG . 70.4 mtm -57.92 -31.9 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.719 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HD2' ' HE3' ' A' ' 14' ' ' LYS . 20.0 mmm180 -72.57 -33.26 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.2 -35.59 78.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -60.59 -50.13 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' HE3' ' HD2' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -63.6 -37.61 87.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.194 0.521 . . . . 0.0 109.978 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -63.8 -27.69 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -75.66 -51.36 12.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.631 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -61.07 -28.23 68.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.802 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.27 -22.89 35.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -165.7 81.42 1.12 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.45 151.42 15.32 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.693 2.262 . . . . 0.0 112.128 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.7 133.06 21.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.29 1.993 . . . . 0.0 112.017 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 135.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 111.261 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.97 -18.62 56.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -144.85 164.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.806 0.336 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -144.22 151.14 39.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.86 88.23 0.11 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.689 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.86 154.22 70.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.11 106.9 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -86.26 -83.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -105.42 -21.39 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -76.19 145.63 39.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -63.31 -172.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.48 -28.65 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.23 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.514 ' HG3' ' H ' ' A' ' 35' ' ' GLN . 6.2 ptt? -62.15 -62.95 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' H ' ' HG3' ' A' ' 34' ' ' MET . 6.4 mp0 -95.05 143.03 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -123.28 147.43 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.626 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -100.43 114.4 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.89 149.18 51.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.318 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.3 t -133.47 132.48 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -117.58 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -100.61 140.71 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.24 142.35 42.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.34 160.56 30.71 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.471 2.114 . . . . 0.0 112.006 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.6 116.23 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.02 6.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 70.0 p -135.56 159.49 71.32 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.313 0.102 . . . . 0.0 110.937 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 36.2 Cg_endo -65.45 0.09 3.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.266 1.977 . . . . 0.0 112.388 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -103.35 -13.85 16.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -28.2 64.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.923 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.09 -23.34 28.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.1 172.57 28.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.753 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -137.01 116.41 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -101.05 159.91 14.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -139.72 150.72 45.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.625 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD23 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -154.74 159.48 40.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.187 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -116.9 149.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -122.92 110.22 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.742 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.82 123.87 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.17 152.85 20.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.5 p -115.39 149.05 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 12.2 pt-20 -83.08 10.2 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.35 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -142.84 154.52 62.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 4.4 2.63 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.392 2.061 . . . . 0.0 112.511 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -131.76 1.17 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.5 tmtt? -65.25 136.67 96.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 85.8 Cg_exo -46.06 119.04 2.69 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.455 2.103 . . . . 0.0 112.608 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.56 -177.27 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.431 2.088 . . . . 0.0 112.7 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -131.13 114.95 15.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 109' ' ' ILE . 67.3 t -134.01 139.91 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.406 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -171.31 138.28 1.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.32 125.94 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.82 -31.16 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.575 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -94.73 156.04 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.694 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.83 126.29 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.17 164.33 30.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.17 126.52 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -138.36 155.38 73.99 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.53 -16.57 36.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.441 2.094 . . . . 0.0 112.177 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -145.85 119.03 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -154.41 152.04 10.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -95.07 178.64 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.807 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.96 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.17 -15.06 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.45 64.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -60.98 156.4 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.612 0.244 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 HG12 ' A' ' 70' ' ' VAL . 4.4 mp -82.48 134.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.2 t -81.98 94.53 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 158.12 44.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 59.6 mt -64.99 -38.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.01 -2.88 11.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -100.89 -162.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.774 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.14 -1.2 22.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -78.77 -7.43 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 37.8 t-105 -61.28 137.18 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -116.44 130.51 24.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.1 -9.36 21.45 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.1 m -72.82 -42.41 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.234 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -66.2 173.0 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -124.63 -171.57 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.357 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.76 -22.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.443 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -67.71 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.034 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -55.01 -52.43 63.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 tp -59.46 -42.12 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.01 -47.65 84.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.742 0.306 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.1 p -70.2 -27.25 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.408 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -67.19 -45.7 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.136 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.48 HD11 HG11 ' A' ' 70' ' ' VAL . 56.5 mt -72.98 -36.26 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.04 -43.95 98.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -67.81 -28.84 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 112' ' ' LEU . 1.4 tm? -60.24 -31.91 70.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.026 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.97 -46.28 68.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.787 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.437 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 23.4 t70 -63.37 -68.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.072 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 43.0 mt-10 -135.7 96.84 13.11 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' HA ' HD22 ' A' ' 112' ' ' LEU . 40.6 Cg_endo -67.33 171.63 11.35 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.452 2.101 . . . . 0.0 112.315 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 119' ' ' ASN . 63.6 t30 -112.27 115.6 49.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.9 26.36 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.535 2.156 . . . . 0.0 112.794 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.441 ' HB3' ' ND2' ' A' ' 117' ' ' ASN . 3.8 p-10 -60.55 -43.19 97.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.2 m -146.02 100.93 4.2 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.06 121.92 7.98 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.365 2.044 . . . . 0.0 112.531 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.08 -40.72 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.14 96.8 5.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -26.67 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.26 -48.5 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.13 -54.03 44.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.77 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.878 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.04 -40.85 82.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.23 -26.82 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.08 -36.65 80.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -99.17 -18.83 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.326 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.14 -78.68 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -115.95 94.32 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.49 -24.2 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.26 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.93 -28.34 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -76.31 -44.48 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.97 -40.54 98.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.286 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -64.81 -31.63 72.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -69.78 -37.32 76.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -62.62 -30.36 71.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.36 -56.28 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.468 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.0 pt -61.26 -33.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.433 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.431 HG13 ' HA3' ' A' ' 51' ' ' GLY . 52.7 t -74.25 -38.0 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.06 -39.18 83.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.134 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.96 -32.5 72.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.4 t -104.64 16.4 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.16 108.87 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.833 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -80.74 109.1 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -136.88 122.91 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.858 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -147.75 152.89 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -165.23 164.74 12.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.043 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -80.9 -30.85 1.57 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.427 2.085 . . . . 0.0 112.119 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.65 -33.68 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG3' HG21 ' A' ' 33' ' ' ILE . 72.3 ttt180 -70.4 -43.41 70.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.731 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -58.53 -44.64 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.218 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 4.2 mmp_? -59.36 -40.47 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.38 -36.77 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 59.3 mtt -58.54 -34.54 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -74.94 -28.84 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.33 -39.99 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.98 -45.94 79.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -54.4 -38.41 66.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.021 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -79.1 -25.37 43.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -70.35 -46.71 63.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.306 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.49 -34.57 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.404 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.43 -34.1 48.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -150.23 81.6 6.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HA ' HD13 ' A' ' 16' ' ' LEU . 47.0 Cg_endo -68.62 156.13 66.56 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.284 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB2' HG23 ' A' ' 24' ' ' VAL . 27.1 Cg_exo -61.8 154.18 62.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.507 2.138 . . . . 0.0 112.179 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.71 121.24 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.98 -36.8 3.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.127 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.55 HG23 ' HB2' ' A' ' 21' ' ' PRO . 19.6 m -121.51 145.62 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.804 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m -132.06 133.56 44.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.03 124.2 2.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.91 151.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.434 0.159 . . . . 0.0 111.006 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.6 124.44 10.74 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.407 2.071 . . . . 0.0 112.12 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.7 p -65.42 -70.34 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -173.45 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -65.98 99.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 56.12 -167.97 0.1 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 6' ' ' ARG . 20.2 tt -114.2 -7.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -80.81 -40.13 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.89 111.72 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -117.79 134.85 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -100.57 117.02 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.27 150.25 42.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -117.39 112.57 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -104.66 134.73 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -109.37 141.61 41.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 143.56 48.64 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.413 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HG2' HG21 ' A' ' 46' ' ' THR . 37.9 Cg_endo -66.07 178.02 2.7 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.235 1.957 . . . . 0.0 112.216 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.83 132.1 34.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.45 24.19 26.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.268 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' HG2' ' A' ' 43' ' ' PRO . 41.1 p -131.27 157.43 78.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.407 0.146 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 49.4 Cg_endo -68.41 5.39 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.315 2.01 . . . . 0.0 112.455 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -111.6 -10.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.98 -26.59 60.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.474 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.02 -44.48 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.539 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.96 178.24 45.03 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.135 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.4 p -131.67 162.31 30.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 110.733 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -140.65 153.97 46.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.32 127.77 40.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -132.15 164.31 26.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.89 138.61 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -111.71 109.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.24 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.36 149.56 44.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.2 m -95.96 133.86 39.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.08 -5.63 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.09 151.3 48.19 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 59.0 Cg_endo -71.51 0.77 6.39 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.405 2.07 . . . . 0.0 112.246 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -99.13 -32.7 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -56.63 153.12 22.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.26 124.33 10.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.63 2.22 . . . . 0.0 112.423 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.79 169.81 21.02 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.429 2.086 . . . . 0.0 112.203 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.0 m -117.46 112.06 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.14 137.91 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -156.4 147.65 22.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -68.63 144.02 54.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.09 -43.0 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.5 t -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.81 161.91 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -150.58 112.37 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.703 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.18 158.13 64.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.06 -21.04 48.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.541 2.161 . . . . 0.0 112.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -145.98 118.6 8.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.414 HG12 HD22 ' A' ' 123' ' ' ASN . 8.2 p -154.62 152.72 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 158.1 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.37 -19.83 65.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.307 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.73 -1.57 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.86 -8.43 73.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -58.64 150.22 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.794 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.2 mt -84.68 130.93 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.4 t -88.13 100.39 12.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -126.56 145.4 50.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' H ' HD13 ' A' ' 89' ' ' LEU . 11.5 m-20 -72.28 -21.28 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.9 tt -69.86 -27.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.27 -14.54 59.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.4 -159.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.26 -7.08 16.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -75.36 -14.13 60.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -60.6 146.58 44.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.439 ' HB3' ' HD1' ' A' ' 100' ' ' TYR . 24.0 t -142.84 146.64 38.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.629 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.33 -9.04 13.93 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.409 2.073 . . . . 0.0 112.077 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -77.91 -50.75 11.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.306 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HD1' ' HB3' ' A' ' 97' ' ' SER . 53.3 m-85 -55.06 141.27 35.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -114.29 -172.09 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.65 -28.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.272 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 21' ' ' PRO . 47.7 t -68.66 -33.8 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.9 m -72.96 -51.8 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -31.92 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.4 -41.91 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 111.184 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.6 p -73.77 -27.2 61.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.28 -39.99 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.82 -34.51 78.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 m -71.13 -29.23 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.644 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.47 -27.62 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.596 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.48 -43.31 49.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.13 -53.75 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.858 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.19 108.81 3.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.74 -175.16 0.85 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.163 1.909 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.88 152.04 65.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.02 -8.36 15.45 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.695 2.264 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.58 177.73 7.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.144 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.1 t -66.16 126.31 91.73 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.817 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.18 169.38 22.59 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.326 2.017 . . . . 0.0 112.53 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.38 -30.63 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.414 HD22 HG12 ' A' ' 81' ' ' VAL . 45.6 t-20 -97.18 85.25 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.394 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -30.13 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.581 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.5 -33.25 75.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.69 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.01 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.416 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.33 -44.64 82.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.11 -32.93 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.326 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.81 -28.18 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.629 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -99.04 -35.79 9.92 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.04 -81.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -104.48 99.58 9.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.55 -24.54 63.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -62.79 -30.82 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -78.11 -27.72 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -76.51 -45.48 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 141' ' ' VAL . 11.5 pt-20 -62.37 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -67.77 -32.12 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -75.99 -52.9 9.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.41 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 138' ' ' GLU . 9.0 p -57.31 -35.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -70.65 -33.73 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -56.28 9.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.2 pt -57.2 -36.05 50.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.75 -40.71 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 43.3 mt-10 -67.88 -36.08 79.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.08 -36.75 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.006 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.2 t -104.09 12.98 33.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' TRP . . . . . 0.524 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER -82.26 2.05 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -62.77 157.49 21.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.04 124.33 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.853 179.861 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -139.52 157.69 45.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -170.17 164.71 5.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -81.09 -31.47 1.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.522 2.148 . . . . 0.0 111.957 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.73 -33.83 75.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' H ' ' CG2' ' A' ' 3' ' ' THR . 51.6 ttp180 -64.56 -52.92 55.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -61.06 -31.07 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -62.42 -47.72 82.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.76 -30.23 67.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.8 mtt -70.59 -29.73 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.24 -30.88 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.027 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.13 -33.87 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -76.93 -46.09 25.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -53.47 -40.75 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.588 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.45 -26.24 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.313 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HG ' ' HD3' ' A' ' 21' ' ' PRO . 7.7 tt -73.47 -31.37 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.753 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.41 -42.39 79.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.58 -21.13 60.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.138 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -156.57 86.57 2.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.22 147.36 72.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 0.0 112.16 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HG ' ' A' ' 16' ' ' LEU . 23.7 Cg_exo -63.95 153.73 74.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.346 2.03 . . . . 0.0 112.024 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.72 124.24 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.51 -31.01 6.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.757 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG12 HG23 ' A' ' 40' ' ' ILE . 35.2 m -132.67 147.83 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 111.348 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m -137.36 133.28 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.79 124.49 3.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.632 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.2 17.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.369 0.128 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.34 99.86 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.285 1.99 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -108.63 136.58 47.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 62.86 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.16 146.15 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.859 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -59.27 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.066 0.46 . . . . 0.0 111.454 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.76 -19.46 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.56 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mtp -57.87 -66.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -93.06 135.52 34.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.011 0.434 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 m0 -113.9 133.23 55.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -100.63 114.81 28.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.46 150.47 43.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -122.62 122.13 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.423 HG23 HG12 ' A' ' 24' ' ' VAL . 83.5 mt -109.27 133.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.47 132.91 51.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 147.78 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.548 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.2 Cg_endo -69.63 -171.73 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.93 162.74 15.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 111.274 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.3 30.75 64.92 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.722 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.9 p -135.81 153.27 77.11 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.441 0.163 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 -2.56 8.89 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -101.4 -10.03 20.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.17 -29.59 67.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.106 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -85.33 -28.0 25.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.43 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -100.64 174.66 25.96 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.87 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -134.35 149.4 50.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -130.2 123.2 29.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.8 mppt? -98.46 147.58 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.642 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.54 160.16 43.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.1 p -121.26 138.56 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.368 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -107.09 109.79 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.96 125.48 35.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.66 147.12 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -117.07 123.78 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.669 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.38 88.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -134.93 -79.35 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -144.76 157.67 54.54 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.21 4.51 2.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.397 2.065 . . . . 0.0 112.425 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -127.13 -3.71 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.62 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.9 tptp -65.29 129.76 94.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -60.1 113.3 1.6 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.457 2.104 . . . . 0.0 112.389 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.01 179.57 2.23 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.586 2.19 . . . . 0.0 112.403 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -130.04 118.53 21.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.58 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.431 HG23 HG13 ' A' ' 57' ' ' ILE . 13.3 p -122.08 147.41 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.502 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -161.14 147.04 14.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -70.49 151.61 44.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.65 -39.56 15.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -92.66 163.99 13.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -72.33 117.64 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.3 162.85 18.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -139.49 109.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.735 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -127.75 158.76 69.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.74 -17.51 36.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.668 2.246 . . . . 0.0 112.777 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -144.97 119.99 10.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.251 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.53 151.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -86.95 171.46 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 3.38 47.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.723 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.71 4.24 89.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.415 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -64.86 169.6 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.351 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -100.19 143.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -90.39 104.87 17.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.54 141.86 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' H ' HD13 ' A' ' 89' ' ' LEU . 16.2 m-20 -75.31 -12.08 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.274 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.1 tt -72.2 -33.25 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.796 0.332 . . . . 0.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.78 -18.4 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -73.08 -162.54 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -68.15 -4.49 13.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -77.33 -0.68 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -78.41 144.17 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.5 m -133.87 145.89 57.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.57 -6.17 17.85 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 112.776 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 t -79.23 -26.15 42.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.602 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -78.89 174.02 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.11 -176.71 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.91 -23.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -65.83 -32.43 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.1 t -65.97 -51.26 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.78 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.23 -44.24 97.58 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.5 p -74.5 -29.32 61.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.1 m -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.954 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.81 -34.89 70.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -61.22 -33.52 73.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -69.78 -29.31 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.42 -33.65 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.477 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -64.87 -42.84 94.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.98 -52.83 62.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.856 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -159.54 114.17 1.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.52 -174.14 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.274 1.983 . . . . 0.0 112.099 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -106.06 105.91 55.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.77 23.74 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.568 2.179 . . . . 0.0 112.934 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -89.49 -58.44 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.2 p -121.1 82.98 37.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.0 138.75 84.06 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.524 2.149 . . . . 0.0 112.11 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.82 -30.48 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -121.86 102.12 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.5 p -65.18 -28.7 69.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -71.12 -53.39 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.26 71.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.23 -50.03 73.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.026 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.42 -27.22 67.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -70.48 -28.63 65.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -103.88 -11.3 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.326 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -102.39 -83.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -104.22 100.79 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.69 -29.6 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -63.49 -29.54 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.6 -30.49 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -72.96 -44.71 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.2 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.79 -41.14 97.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -63.36 -37.14 86.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -64.63 -31.87 73.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.406 . . . . 0.0 110.385 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.3 -42.73 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.769 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.4 m -66.47 -30.34 70.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.58 -55.89 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.481 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.61 -32.04 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.865 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.3 t -76.53 -39.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -67.43 -38.95 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -66.8 -25.28 66.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.5 m -94.06 1.52 56.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' TRP . . . . . 0.475 ' HE1' ' HA2' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -92.35 -179.19 5.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.064 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.93 90.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.83 -10.63 1.02 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.128 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.9 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.711 0.291 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -87.25 158.45 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -119.87 156.49 54.12 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.27 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.69 -32.03 92.69 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.09 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.61 -31.72 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -77.46 -34.28 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.115 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.43 -34.07 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -69.72 -49.23 55.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -65.23 -28.38 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.86 -52.82 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.04 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.707 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.04 -45.05 91.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -79.03 -25.9 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.21 -36.12 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.82 -36.43 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.197 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.26 -36.9 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -164.2 85.18 1.21 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.87 153.83 58.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.33 2.02 . . . . 0.0 112.202 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.48 147.05 80.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.148 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.98 140.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 -2.89 79.29 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.881 -0.675 . . . . 0.0 112.385 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 106' ' ' LEU . 7.8 p -160.6 141.88 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -129.14 147.68 51.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.167 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.69 93.6 0.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.325 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.72 154.5 51.98 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.558 0.218 . . . . 0.0 111.259 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 124.3 8.14 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.177 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -88.24 -81.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.0 -30.55 5.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.758 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -57.42 146.26 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -51.34 164.97 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -53.22 -28.88 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.499 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.0 ptp -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -115.85 124.94 51.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.415 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -113.81 157.46 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.9 111.5 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.697 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -126.73 149.34 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.47 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 54' ' ' LYS . 45.9 t -132.04 125.05 54.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.678 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.43 135.69 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -111.3 128.36 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -53.72 145.87 23.23 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.751 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.54 165.44 32.48 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.359 2.039 . . . . 0.0 112.028 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.24 117.74 14.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 28.6 3.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -140.54 158.51 65.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.392 0.139 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.27 -4.67 12.17 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.42 2.08 . . . . 0.0 112.147 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -105.3 -6.49 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.9 -33.47 64.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.15 -38.83 18.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.12 172.03 53.88 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.996 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -132.11 148.88 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.703 0.287 . . . . 0.0 110.79 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -136.13 148.53 48.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.895 0.379 . . . . 0.0 111.252 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' HG22 ' A' ' 39' ' ' VAL . 66.8 mttm -126.71 142.46 51.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.0 164.29 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.27 141.67 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 55' ' ' LEU . 4.0 mp -124.84 109.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.94 127.08 52.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -104.02 148.31 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.3 t -97.27 152.31 19.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.7 -3.44 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 89.2 m-85 -147.83 146.0 22.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 63' ' ' TYR . 27.5 Cg_exo -62.44 -12.79 29.37 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.417 2.078 . . . . 0.0 112.272 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -89.44 -22.68 22.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 14.7 mmmm -58.64 152.49 46.21 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.937 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 43.4 Cg_endo -67.98 121.08 8.08 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.367 2.045 . . . . 0.0 112.036 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.72 -174.57 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.367 2.045 . . . . 0.0 112.577 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.9 m -131.54 112.74 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.263 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 109' ' ' ILE . 99.8 t -128.44 137.94 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 111.439 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -167.19 128.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.11 126.41 27.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.28 -38.28 83.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.9 m -92.28 177.92 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -81.97 151.99 26.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.652 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -158.9 164.01 36.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.109 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' HB3' HD13 ' A' ' 144' ' ' ILE . 86.7 t80 -136.06 108.0 7.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.478 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -123.97 158.66 59.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.3 -18.03 35.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.581 2.187 . . . . 0.0 112.816 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -151.62 119.11 6.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.5 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -154.45 144.1 13.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.642 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.13 166.04 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.294 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.77 81.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.355 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.63 -2.58 36.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.31 -6.01 78.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 149.58 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.81 144.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.29 112.95 23.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -120.1 160.72 22.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.02 -16.56 22.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.123 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.39 -34.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.17 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.88 -10.21 8.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -77.29 -164.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.793 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -63.11 -12.76 29.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -75.11 -3.34 32.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -70.74 147.08 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.123 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 66.3 m -144.01 144.12 25.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.512 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 24.3 Cg_exo -63.14 -7.69 12.46 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.454 2.103 . . . . 0.0 112.377 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.9 m -76.48 -43.57 39.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -55.74 135.5 51.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.071 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.98 -174.21 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 106' ' ' LEU . 14.1 p -60.89 -22.17 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.056 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.748 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.9 t -60.65 -52.08 66.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 109' ' ' ILE . 2.9 tp -60.88 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.662 0.268 . . . . 0.0 111.506 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 38' ' ' ALA . 4.2 mm? -63.45 -43.97 95.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.741 0.305 . . . . 0.0 111.22 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.1 p -74.46 -27.82 60.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.57 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.0 m -68.55 -48.28 64.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 105' ' ' ILE . 77.1 mt -62.94 -39.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.759 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.61 -31.45 72.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.2 m -71.54 -29.34 64.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.809 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.9 -32.19 65.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.546 HD12 ' HA2' ' A' ' 42' ' ' GLY . 2.5 mt -72.0 -43.28 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.244 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -118.08 94.8 47.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.377 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.49 -14.81 5.2 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.7 2.267 . . . . 0.0 112.891 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -127.81 103.91 21.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.23 22.13 0.95 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.6 2.2 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 61.52 11.65 3.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.2 m -154.27 75.08 5.99 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.81 145.78 29.13 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.554 2.169 . . . . 0.0 112.585 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.78 -25.38 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -115.74 99.42 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.684 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m -64.39 -35.64 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -66.8 -49.16 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.4 -49.36 67.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.37 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.596 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -56.7 -42.96 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.443 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -27.21 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.5 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -69.42 -32.91 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.566 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -97.63 -7.8 30.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.462 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.46 -80.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -109.44 105.94 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.321 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -73.3 -29.56 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -65.49 -30.13 70.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.27 -35.58 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.47 -39.85 77.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.009 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.17 -34.92 71.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.93 -31.06 61.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -75.68 -43.85 45.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 145' ' ' VAL . 9.7 p -63.38 -35.11 71.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.042 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -30.34 66.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.745 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.71 -51.45 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 77' ' ' PHE . 43.6 pt -59.77 -31.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 141' ' ' VAL . 53.7 t -77.05 -39.38 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.02 -40.62 96.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.13 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -103.87 13.98 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -87.17 102.37 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.814 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -145.28 125.02 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.963 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.798 0.333 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -94.51 123.41 37.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -106.08 156.34 36.93 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.13 -26.82 57.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.542 2.162 . . . . 0.0 112.142 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.2 -43.62 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HE ' HG21 ' A' ' 33' ' ' ILE . 79.0 ttt180 -72.3 -27.61 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.576 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.52 -41.87 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -65.56 -38.35 89.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.1 mt -55.1 -31.31 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.9 mtp -66.63 -52.91 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -58.49 -29.86 66.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -73.23 -32.53 64.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.214 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.05 -56.79 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.252 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 4.7 mmtt -58.99 -33.09 70.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.008 0.433 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -63.08 -36.04 82.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -75.31 -33.39 61.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.002 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.13 -16.24 59.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -83.96 -42.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -151.13 85.32 5.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.35 145.34 88.13 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.501 2.134 . . . . 0.0 112.234 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 24' ' ' VAL . 32.3 Cg_exo -58.46 141.82 97.48 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.668 2.245 . . . . 0.0 112.404 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.3 t -82.81 119.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.804 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.48 -24.34 31.25 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.409 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 21' ' ' PRO . 29.7 m -142.22 146.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 m -135.14 135.02 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.57 103.54 0.34 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.03 151.27 29.36 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 132.36 22.94 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.429 2.086 . . . . 0.0 112.266 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.7 p -94.56 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -133.24 -35.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -57.63 146.56 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.008 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -48.68 161.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.217 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.563 HG21 ' HE ' ' A' ' 6' ' ' ARG . 20.3 tt -53.3 -24.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 0.0 110.954 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -114.47 132.04 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.739 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.3 m0 -115.59 179.74 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -135.93 109.46 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.11 149.2 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 111.606 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.61 128.13 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.558 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.407 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.5 mt -112.18 127.24 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.421 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -95.91 133.93 39.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.17 138.86 44.81 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.605 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.93 169.77 15.63 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.447 2.098 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.01 140.15 36.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.68 18.25 56.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.599 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -131.49 154.41 81.87 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.19 -5.63 14.2 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.456 2.104 . . . . 0.0 112.206 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.93 -5.06 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.52 -32.75 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.376 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.53 -45.07 12.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.49 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.71 119.79 5.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.696 . . . . 0.0 113.085 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -85.98 157.29 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -127.02 143.95 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -111.99 143.62 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -149.92 157.03 42.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 36' ' ' TRP . 5.8 p -117.05 140.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.497 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.96 109.79 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -87.84 134.33 33.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.9 162.34 17.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.6 p -132.43 154.58 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.81 14.75 6.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.18 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -142.91 152.94 60.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -17.29 59.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.562 2.175 . . . . 0.0 112.27 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.67 -18.31 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.08 123.21 46.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.53 117.17 3.66 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.466 2.111 . . . . 0.0 112.161 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.53 -174.23 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.513 2.142 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -129.58 136.13 49.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 HG13 ' A' ' 57' ' ' ILE . 13.9 p -142.82 143.0 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.345 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -159.52 155.59 26.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.226 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -80.46 139.51 36.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.984 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.9 -26.05 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.141 0.496 . . . . 0.0 110.151 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -98.94 -169.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.734 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -92.85 133.93 35.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.625 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.55 153.66 41.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -131.8 113.03 13.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 78.3 m80 -129.54 158.6 72.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 26.9 Cg_endo -62.3 -9.02 13.81 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.576 2.184 . . . . 0.0 112.619 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.497 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 22.4 p-10 -151.66 119.29 6.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 111.41 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.15 152.09 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.757 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -91.39 169.37 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.68 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.99 -10.99 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.94 62.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.9 m -74.21 169.34 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -106.27 146.26 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.9 t -88.5 103.24 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 91' ' ' ILE . 10.6 mp -113.32 121.66 45.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -64.59 -22.83 67.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 89' ' ' LEU . 14.6 tt -73.26 -37.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -12.95 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.202 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -71.45 -161.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -66.66 -2.17 4.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.27 -4.39 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -66.72 146.22 54.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -139.66 148.21 54.94 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.721 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.52 -2.08 11.24 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.389 2.06 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.4 p -78.01 -31.67 50.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -73.4 -175.87 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.63 -178.51 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.1 p -63.61 -22.35 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -68.32 -32.11 72.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.5 m -67.76 -51.36 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.496 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -59.48 -32.9 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.968 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -44.92 78.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.7 p -70.31 -27.38 64.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.4 t -61.74 -44.08 97.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.956 0.408 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.6 mt -71.02 -34.99 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.19 -44.15 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -65.48 -29.23 69.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.72 -26.25 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.51 -42.75 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -158.75 113.13 1.64 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.56 -162.27 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.396 2.064 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -125.97 135.35 26.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.795 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.44 25.14 0.69 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.712 2.275 . . . . 0.0 112.729 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -72.5 -72.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.173 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -157.26 97.92 2.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.122 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.23 135.43 40.04 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.483 2.122 . . . . 0.0 112.205 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.88 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.497 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 36.7 t-20 -90.87 102.73 15.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.2 p -70.82 -28.02 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.482 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.48 -47.64 63.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -58.11 -45.87 86.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.38 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.74 74.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.035 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.22 -33.49 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.93 -27.64 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -65.75 -33.71 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.36 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -94.78 -23.93 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -90.16 -84.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.178 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -105.81 96.36 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -72.02 -21.39 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -70.71 -30.88 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.16 -27.38 53.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -75.88 -50.75 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.309 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.76 -40.94 80.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.23 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.74 -31.23 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -67.94 -36.16 79.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.86 -42.09 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 t -67.69 -30.3 69.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.53 -57.18 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.45 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.4 pt -57.58 -33.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.63 -37.43 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.972 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -37.38 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -64.4 -32.13 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.6 t -105.34 10.68 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -88.34 -15.48 35.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -139.24 108.43 6.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.27 142.21 27.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.899 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.756 0.313 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -143.89 127.5 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -141.49 155.05 67.35 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.04 -36.05 84.15 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.444 2.096 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.4 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -67.82 -39.36 83.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.88 -32.13 73.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -62.84 -47.58 82.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.15 -31.03 51.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.63 -44.97 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -74.9 -28.21 60.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.23 -46.78 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.69 -42.84 85.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -55.04 -34.24 63.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.289 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.38 -25.82 42.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.02 -47.0 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.52 -27.34 62.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.65 -44.6 73.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.775 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -160.0 87.43 1.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 157.72 59.25 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.415 2.077 . . . . 0.0 112.04 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 24' ' ' VAL . 36.6 Cg_exo -60.5 152.57 67.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.384 2.056 . . . . 0.0 111.942 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.11 138.63 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.68 -2.78 66.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.641 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 21' ' ' PRO . 7.4 p -161.56 142.84 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.0 t -137.41 148.38 46.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -150.17 99.51 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.581 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.78 156.09 38.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 122.886 -0.184 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.2 122.29 8.25 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.292 1.995 . . . . 0.0 112.314 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 t -70.9 -77.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.35 -29.89 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.65 147.22 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -48.84 168.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.285 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -55.62 -16.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.622 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.55 -60.37 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.037 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -99.07 137.09 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.52 164.94 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -127.32 107.97 10.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.652 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.87 148.22 41.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.448 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -126.7 113.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.4 mt -104.85 133.88 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -105.91 134.65 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.73 144.5 34.28 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.576 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.24 -174.69 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -87.14 161.18 18.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.73 28.04 69.34 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.597 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.4 p -134.54 156.02 79.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.445 0.164 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 1.99 3.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.339 2.026 . . . . 0.0 112.013 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.82 -5.43 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.88 -34.32 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.77 -46.33 11.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 163.87 54.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.687 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -131.6 140.65 49.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.91 163.89 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -140.61 143.0 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.744 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.48 162.84 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.14 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.95 145.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.5 mp -125.79 111.22 26.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -98.61 136.61 38.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.752 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -112.74 142.29 45.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -104.88 152.14 22.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.757 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.38 6.05 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.71 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -144.83 148.83 40.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.74 -25.21 78.47 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.427 2.085 . . . . 0.0 112.035 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.52 -18.76 23.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.4 tmtt? -52.08 132.14 40.64 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 10.3 Cg_endo -51.76 110.99 0.49 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.384 2.056 . . . . 0.0 111.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.39 -169.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.452 2.102 . . . . 0.0 112.639 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -131.23 118.49 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.29 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 109' ' ' ILE . 92.3 t -134.76 138.31 49.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -165.56 145.01 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.84 132.25 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.32 -38.76 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -88.66 169.65 11.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.65 125.71 27.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 163.7 29.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -143.17 110.6 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.629 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -127.66 155.89 76.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.02 -25.84 72.38 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.317 2.011 . . . . 0.0 112.161 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -128.9 118.04 22.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.805 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -152.69 135.27 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -85.94 174.48 9.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.059 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.53 1.64 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.68 4.64 81.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.94 164.48 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.683 0.278 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.85 137.61 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.43 105.06 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -127.41 140.39 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.459 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.51 -20.93 66.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.683 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.58 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.4 tt -67.34 -26.6 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.2 -9.11 54.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.195 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -76.45 -164.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.8 -7.98 32.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -72.81 -10.76 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.08 140.82 58.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 m -135.75 142.28 40.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.668 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.13 -2.36 6.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.539 2.159 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 65.2 m -76.92 -41.02 45.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -61.37 172.36 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -133.07 -171.46 2.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.46 -22.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 m -69.22 -32.09 71.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -62.11 -52.4 64.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.934 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.42 HG12 HG21 ' A' ' 70' ' ' VAL . 2.7 tp -59.17 -37.17 66.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.76 0.314 . . . . 0.0 111.359 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 72.8 mt -61.29 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.122 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.9 p -59.97 -27.9 67.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.495 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -48.18 74.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.591 HD11 HG11 ' A' ' 70' ' ' VAL . 57.5 mt -69.85 -39.24 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.221 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.73 -44.26 90.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -72.48 -29.71 63.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -60.21 -35.24 74.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 113' ' ' LEU . 6.5 mt -56.76 -36.9 70.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.32 -55.22 37.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -159.81 114.62 1.49 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.72 -162.47 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.293 1.996 . . . . 0.0 112.409 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -126.98 114.83 22.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.81 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.56 14.4 1.64 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.422 2.081 . . . . 0.0 112.619 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.89 -51.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.9 m -133.32 84.03 48.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.674 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.5 117.24 3.82 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.688 2.259 . . . . 0.0 112.495 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.5 -43.44 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -105.37 110.85 23.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.457 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.1 m -70.79 -27.37 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.608 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -69.42 -53.46 19.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.424 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.31 42.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.581 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.04 56.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.594 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.82 -36.21 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 0.0 111.349 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.8 -27.26 69.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.24 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -67.82 -32.33 72.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.642 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -98.4 -24.7 15.08 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.72 -80.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.25 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -106.35 92.58 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.32 -36.64 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -34.45 77.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -70.15 -27.53 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -75.99 -42.18 48.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.14 -45.66 84.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.158 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -58.28 -37.89 75.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 145' ' ' VAL . 92.0 t -60.7 -44.47 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.4 m -62.47 -30.34 71.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.72 -56.97 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.577 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.6 pt -59.18 -35.33 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.469 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 55.1 t -70.42 -40.51 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -62.86 -42.16 99.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.295 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.48 -36.75 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.2 p -100.39 13.5 34.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.279 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 4.7 t90 -85.94 -51.15 6.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.751 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 52.7 t30 60.64 102.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -100.31 -54.4 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.66 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.873 -179.855 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.718 0.295 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -158.81 153.26 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.77 165.37 5.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.968 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 10.0 Cg_endo -81.04 -34.77 0.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.44 2.094 . . . . 0.0 112.095 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.05 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -64.36 -52.88 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.151 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -58.31 -34.9 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.547 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' PRO . 29.5 mmt180 -57.46 -48.23 79.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.314 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.48 -39.16 72.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.12 -31.47 72.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.457 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -75.01 -28.39 60.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -73.87 -37.04 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.59 -51.94 24.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.63 69.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.673 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -79.76 -25.94 40.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.06 -46.83 88.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.44 -40.74 66.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 110.539 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -158.94 82.08 2.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.464 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.61 150.36 74.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.509 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 37.1 Cg_endo -66.88 141.69 59.79 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.385 2.057 . . . . 0.0 112.113 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -89.19 123.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.309 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.29 -5.13 55.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' PRO . 8.2 p -159.17 148.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -137.3 145.59 43.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.973 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -156.16 112.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.346 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.26 156.64 54.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.445 0.164 . . . . 0.0 111.172 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -68.94 130.1 19.72 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.486 2.124 . . . . 0.0 112.174 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -59.6 -72.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -172.24 -30.06 0.01 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -84.1 110.13 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.2 m120 56.6 -177.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.654 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -113.21 -1.92 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -77.04 -50.1 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -83.73 121.5 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.1 m0 -122.31 135.87 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -100.09 122.68 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.12 150.32 51.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.45 122.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.23 130.33 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.56 149.44 24.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.72 142.8 37.01 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.784 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD3' HD12 ' A' ' 113' ' ' LEU . 40.2 Cg_endo -68.01 4.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 66.49 113.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.81 -3.73 17.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.048 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -110.97 161.34 25.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.61 ' HB2' HG11 ' A' ' 141' ' ' VAL . 18.2 Cg_exo -66.62 2.55 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.371 2.047 . . . . 0.0 112.247 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -109.93 -6.92 15.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.27 -26.03 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.59 1.87 40.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.299 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.66 145.1 16.36 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.667 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.0 p -100.95 157.49 16.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.676 0.274 . . . . 0.0 110.924 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.22 125.45 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -105.33 115.45 30.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -120.56 164.31 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.062 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.9 p -124.44 139.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -107.56 109.72 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.562 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.78 155.97 16.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.11 162.63 32.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.698 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -136.94 128.6 28.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.43 90.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -133.15 -76.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -143.69 154.66 59.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 41.2 Cg_endo -67.47 -3.82 10.81 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.181 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -122.14 -4.78 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 48.4 tptt -60.43 130.43 89.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 36.2 Cg_endo -64.89 121.75 9.35 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.352 2.035 . . . . 0.0 112.188 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.27 -172.69 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.27 1.98 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -130.76 135.01 47.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 87' ' ' ILE . 15.0 p -139.93 146.91 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.402 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -159.02 160.91 36.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' HD12 ' A' ' 55' ' ' LEU . 62.8 m-85 -84.75 126.74 33.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.66 -34.74 74.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.514 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -92.31 140.42 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.07 113.9 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 mmt -127.5 163.26 24.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.53 118.79 34.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 39.2 m80 -127.03 157.48 71.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -59.31 -19.54 51.1 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.416 2.077 . . . . 0.0 112.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.57 119.44 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -148.16 129.18 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -72.43 172.21 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -94.4 8.5 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.33 10.36 84.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -68.21 169.47 10.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 70' ' ' VAL . 4.5 mp -98.86 134.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.15 102.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.37 139.6 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.7 -23.81 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -65.63 -28.46 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.6 tp -72.91 -17.42 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -79.73 -159.24 0.2 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -65.61 -6.18 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 6.3 tpm_? -72.74 -12.76 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.435 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 64.1 t-105 -67.56 144.94 55.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 59.5 m -134.83 147.69 63.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.767 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 15.6 Cg_exo -68.54 -5.22 14.69 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.701 2.267 . . . . 0.0 112.504 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 74.9 p -79.07 -44.12 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.424 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -59.37 167.57 1.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -136.27 -171.62 2.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 105' ' ' ILE . 76.3 t -58.33 -24.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.7 m -70.26 -32.51 70.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.747 0.308 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.9 t -73.29 -47.0 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.605 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -58.93 -36.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.251 -179.485 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.485 HD11 ' HA3' ' A' ' 26' ' ' GLY . 42.2 mt -66.78 -47.92 70.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.8 p -66.4 -27.97 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.2 m -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.2 -38.93 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.95 -31.86 73.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.41 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -68.01 -28.84 67.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.73 -25.15 59.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.484 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -78.47 -42.61 29.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.492 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.02 -44.17 96.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.981 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.45 113.75 1.53 Allowed Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.992 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -68.63 -171.41 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.378 2.052 . . . . 0.0 112.218 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -124.33 103.65 32.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.729 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.28 20.42 1.24 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.7 2.266 . . . . 0.0 112.53 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -96.68 -19.58 18.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.0 m -154.91 87.33 3.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.18 134.36 8.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.478 2.119 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.64 -25.62 21.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -120.96 109.44 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.7 p -68.54 -33.3 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -70.2 -47.82 59.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.001 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 79' ' ' PRO . . . -57.04 -53.84 53.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.59 73.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -68.47 -30.05 68.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -103.96 -11.13 17.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.506 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -98.19 -78.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.936 0.398 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.78 103.55 12.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.46 -21.66 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.697 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -70.85 -38.49 73.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.25 -27.81 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -74.58 -50.03 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.15 -37.93 75.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 111.245 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.96 -30.32 71.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -76.01 -31.12 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 47' ' ' PRO . 66.6 t -59.09 -52.98 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.8 m -71.36 -30.21 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.63 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.797 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 145' ' ' VAL . 46.4 pt -73.99 -35.92 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' HG13 ' A' ' 144' ' ' ILE . 54.5 t -72.0 -33.64 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.561 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 35.2 mt-10 -66.54 -30.67 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.326 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -64.07 -40.59 96.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.1 p -94.4 0.19 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' TRP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -73.09 -13.23 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -103.62 121.5 43.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -111.96 135.56 52.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.993 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -93.48 133.73 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.84 165.4 8.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -79.86 -33.79 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.392 2.061 . . . . 0.0 111.914 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HA ' ' HG3' ' A' ' 64' ' ' PRO . . . -59.78 -34.2 72.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.21 -42.83 75.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.96 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 11' ' ' ARG . 30.8 mmm180 -71.62 -42.27 67.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD13 HG12 ' A' ' 33' ' ' ILE . 90.2 mt -53.15 -43.61 67.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.81 -31.55 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 8' ' ' ARG . 99.1 mtt180 -75.28 -31.85 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -74.38 -30.88 62.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.54 -51.48 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.7 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -79.66 -25.4 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.87 -43.01 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.441 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.5 -33.8 75.6 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.0 -42.04 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.16 83.56 3.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 156.43 62.72 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.61 150.6 79.83 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.405 2.07 . . . . 0.0 112.285 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.18 136.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.12 -19.66 50.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.816 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.63 157.11 12.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.435 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 t -135.91 146.94 47.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.724 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.73 87.75 0.12 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.68 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.05 153.69 67.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.547 0.213 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.91 110.32 2.35 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.389 2.06 . . . . 0.0 112.335 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 p -77.78 -62.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -136.68 -29.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 13.7 m120 -64.29 146.35 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.699 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.59 175.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 111.681 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 9' ' ' LEU . 20.6 tt -56.68 -18.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.523 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.5 mtt -71.18 -50.39 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 52.5 tt0 -104.24 127.57 51.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -114.74 153.64 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.12 116.9 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.382 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.12 148.91 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.012 0.434 . . . . 0.0 111.628 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 54' ' ' LYS . 9.2 p -137.95 146.93 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.9 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.2 120.46 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.48 149.44 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.96 139.88 37.11 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.611 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.7 Cg_endo -70.6 178.83 4.67 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.429 2.086 . . . . 0.0 112.096 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.29 128.48 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.67 9.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.6 p -138.31 156.6 73.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.349 0.119 . . . . 0.0 111.135 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.9 2.32 3.16 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.267 1.978 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -111.15 -3.28 15.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.712 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -57.56 -30.4 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.579 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.48 -37.83 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.32 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.27 -173.87 41.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.621 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 t -148.32 151.65 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -130.11 122.23 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 39' ' ' VAL . 94.2 mttt -94.34 155.49 16.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.291 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -152.96 163.7 39.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.05 153.0 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.654 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -126.81 123.26 62.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.3 125.04 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -103.61 151.07 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -101.63 161.61 13.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.75 6.05 36.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.01 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 96.5 m-85 -148.39 152.75 39.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 16.4 Cg_exo -67.26 -11.81 33.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.616 2.21 . . . . 0.0 112.112 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.62 -25.55 16.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.274 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -55.87 151.99 21.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.44 125.91 17.95 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.412 2.075 . . . . 0.0 112.219 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.22 -172.84 1.1 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.295 1.997 . . . . 0.0 112.354 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.3 m -131.51 113.76 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 109' ' ' ILE . 98.1 t -130.3 136.89 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.839 0.352 . . . . 0.0 111.406 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -166.46 144.34 5.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.28 146.79 48.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.0 mt -87.94 -37.44 16.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.471 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.2 m -90.4 143.91 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.716 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -56.37 125.73 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.53 164.18 30.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -137.98 115.4 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -129.49 156.13 79.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.64 -18.31 39.74 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.277 1.985 . . . . 0.0 111.974 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -134.9 118.3 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -153.27 121.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -66.18 176.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.959 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.45 74.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.58 7.69 32.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.58 4.18 87.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.588 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.3 m -63.26 158.3 20.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.9 137.15 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 65.0 m -80.94 104.7 11.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -134.12 143.49 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' H ' HD13 ' A' ' 89' ' ' LEU . 20.8 t70 -68.61 -22.09 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 89' ' ' LEU . 17.3 tt -69.61 -13.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.084 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.84 -25.62 61.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.25 -164.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.19 -0.24 3.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -72.24 -8.51 55.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.994 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.15 147.28 48.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.4 m -136.58 151.94 73.74 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.14 1.78 7.42 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.434 2.09 . . . . 0.0 112.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 m -86.82 -48.4 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -56.6 151.13 14.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.41 -175.67 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 105' ' ' ILE . 11.5 p -64.78 -26.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.8 m -63.36 -32.32 73.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.5 t -61.19 -30.13 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.4 OUTLIER -78.96 -27.41 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.992 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.71 -42.66 70.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.0 p -73.85 -29.89 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.773 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.2 p -62.76 -41.21 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.212 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.53 HD11 HG11 ' A' ' 70' ' ' VAL . 70.9 mt -73.24 -38.59 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.423 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.93 -32.2 71.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m -67.45 -29.18 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.67 -26.13 65.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.529 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -76.57 -42.16 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.005 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 44.7 mt-10 -115.38 98.9 51.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 115' ' ' GLU . 11.6 Cg_endo -55.45 -18.24 18.89 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.703 2.268 . . . . 0.0 112.484 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -125.44 103.11 29.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -89.66 21.51 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.663 2.242 . . . . 0.0 111.976 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 66.08 149.34 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.64 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.5 m 57.81 93.27 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.47 144.61 90.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.562 2.174 . . . . 0.0 112.635 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -112.35 -25.85 9.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.904 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -129.58 105.76 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.413 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -64.77 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.256 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.42 -52.47 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.535 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.91 41.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.613 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.67 73.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.382 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.51 -38.54 89.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.147 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.39 -26.71 68.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.289 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -64.31 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.468 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -99.73 -45.56 5.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.648 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.77 -77.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.748 0.308 . . . . 0.0 111.274 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.11 88.31 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.29 -26.78 66.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.694 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.02 -29.68 69.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.81 -31.92 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.71 -47.41 39.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.369 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.29 -40.74 87.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.386 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -64.06 -34.14 77.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -68.21 -34.22 75.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.5 -48.04 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.3 p -66.17 -30.3 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.6 -57.96 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.484 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -58.46 -31.43 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.677 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.7 t -76.03 -41.85 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.244 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.49 -34.34 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.02 -39.76 91.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -97.94 9.61 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.81 161.27 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.718 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.7 t30 60.37 -87.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -130.72 162.31 29.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.862 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.771 0.32 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -90.13 139.26 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.092 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -143.45 156.0 60.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.424 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.67 -31.72 69.38 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.733 2.289 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.47 68.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -65.16 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.011 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -71.69 -31.52 66.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -77.55 -41.26 39.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.5 -36.02 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.337 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.24 -51.72 19.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -56.68 -28.69 61.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.336 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.58 -34.52 72.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -65.33 -52.91 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -62.28 -31.86 72.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.03 0.443 . . . . 0.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -75.14 -28.38 60.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.175 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.27 -47.13 29.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.441 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -57.99 -23.81 55.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 111.419 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.29 -48.64 49.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.504 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -141.64 79.97 16.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.4 Cg_endo -65.74 148.03 86.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.549 2.166 . . . . 0.0 112.264 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.8 Cg_exo -64.49 156.06 62.73 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.525 2.15 . . . . 0.0 112.191 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.86 138.07 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 -22.61 13.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.317 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 40' ' ' ILE . 27.1 m -140.36 160.04 25.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -151.26 148.1 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.06 125.2 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.16 146.35 19.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.375 0.131 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.5 106.46 1.96 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.482 2.121 . . . . 0.0 112.471 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -77.54 -156.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.404 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.65 -19.59 4.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.3 146.48 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.013 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -52.58 168.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.455 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.12 -26.0 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.004 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.1 mtm -73.68 -0.27 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.565 0.221 . . . . 0.0 111.377 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -140.51 117.47 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -117.62 135.12 54.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -100.61 126.83 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.35 147.31 52.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.125 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.0 t -118.63 120.55 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 ' HA ' HG12 ' A' ' 24' ' ' VAL . 59.7 mt -111.44 130.93 64.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -104.33 133.82 48.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -58.79 145.74 42.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.51 -174.86 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.29 1.993 . . . . 0.0 112.229 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.92 138.65 31.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.2 63.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.656 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 p -116.68 157.05 47.02 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.33 0.109 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.74 -0.15 5.69 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.474 2.116 . . . . 0.0 112.17 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -111.05 -2.35 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.017 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.53 -31.05 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.34 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.07 -32.8 22.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.14 176.33 35.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.638 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.6 p -137.35 143.59 42.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -123.72 144.3 49.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -119.86 139.81 51.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.45 164.62 28.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 111.418 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -126.53 134.38 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -103.55 111.11 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.31 132.75 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -112.28 148.17 34.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -113.65 126.35 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.597 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.57 94.42 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -144.3 -83.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.19 153.03 48.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.4 -17.29 52.54 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.49 2.126 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.45 -14.16 19.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -58.13 132.04 84.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.65 135.55 71.11 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.353 2.035 . . . . 0.0 111.99 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -85.41 175.11 6.49 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.556 2.171 . . . . 0.0 112.641 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.5 m -128.75 130.19 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.504 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 105' ' ' ILE . 11.7 p -139.99 146.95 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.905 0.383 . . . . 0.0 111.358 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -166.86 142.02 4.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -65.49 147.68 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -85.79 -30.71 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.454 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 m -101.55 165.76 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.754 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 2.4 mmmp? -67.95 133.58 49.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -142.02 156.95 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -134.0 120.74 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -134.41 158.78 74.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.73 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.61 -19.21 36.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.402 2.068 . . . . 0.0 112.503 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' ND2' ' HG3' ' A' ' 118' ' ' PRO . 4.8 p30 -144.87 118.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.34 157.0 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -98.51 174.33 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -24.98 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.03 4.93 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 12.44 75.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.619 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -71.89 165.24 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.638 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD22 ' A' ' 112' ' ' LEU . 4.9 mp -97.22 134.57 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 49.5 t -85.32 94.46 8.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -125.85 137.81 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 11.5 m-20 -60.97 -29.91 69.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 89' ' ' LEU . 16.6 tt -66.24 -26.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.5 tp -68.3 -25.36 65.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.19 -163.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.33 -7.16 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.322 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.465 ' HD3' ' HB3' ' A' ' 90' ' ' ASP . 76.8 mtp180 -73.58 0.83 11.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -75.82 147.75 38.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.1 m -141.81 148.23 48.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.77 -1.43 10.38 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.376 2.051 . . . . 0.0 112.612 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.9 t -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.248 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -98.4 -179.91 4.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -140.21 -173.89 3.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.95 -21.94 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' PRO . 53.2 m -69.98 -31.87 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.0 m -61.1 -52.02 66.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.816 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.443 HD11 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -59.57 -36.98 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.92 -47.83 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.4 p -74.67 -27.55 60.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.436 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.22 -38.5 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.0 -31.95 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.772 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.2 t -69.97 -29.43 66.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.48 HD22 HG23 ' A' ' 87' ' ' ILE . 26.3 tp -57.75 -31.86 66.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.425 HD12 ' HA2' ' A' ' 42' ' ' GLY . 1.9 mt -77.2 -44.81 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.12 -35.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.49 98.07 50.12 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.786 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.38 -15.98 26.84 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.473 2.116 . . . . 0.0 112.42 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -120.47 104.14 43.21 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.76 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.409 ' HG3' ' ND2' ' A' ' 80' ' ' ASN . 97.4 Cg_endo -85.45 21.14 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.682 2.255 . . . . 0.0 112.209 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 61.38 13.67 5.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.957 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -163.46 68.59 1.73 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.28 146.3 96.78 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.611 2.207 . . . . 0.0 112.24 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.5 -31.11 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -114.43 99.85 7.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.538 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 t -66.71 -27.81 67.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.333 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.73 21.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.48 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.241 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.11 -48.35 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.52 -27.75 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -62.69 -44.0 97.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.314 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -91.5 -16.6 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -92.71 -75.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -113.69 88.08 2.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.856 0.36 . . . . 0.0 110.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -64.93 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.962 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -81.65 -30.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -72.84 -46.21 54.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.92 -33.07 74.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -69.77 -35.95 75.34 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -70.87 -51.12 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.16 -35.88 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 84.0 p -71.02 -30.52 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.79 18.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 pt -59.45 -31.94 47.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.462 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.34 -41.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.97 -46.21 88.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.53 -25.74 68.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.0 m -104.66 8.5 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.26 100.34 11.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.2 162.24 22.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -140.08 -9.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.935 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -99.67 123.31 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -139.55 156.38 71.38 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.447 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.07 -33.48 73.36 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.543 2.162 . . . . 0.0 112.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.49 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.26 -35.02 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.64 -34.32 77.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 28.1 mmt180 -77.0 -34.06 57.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.069 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 33' ' ' ILE . 66.9 mt -62.97 -29.67 70.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.62 -31.62 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.986 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.7 -40.76 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.39 -49.21 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -52.85 -39.05 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.616 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -79.8 -25.49 40.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.02 -44.28 66.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.434 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.18 -24.72 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.456 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.01 -41.91 27.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -143.09 80.01 13.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.597 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.99 150.8 78.1 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.532 2.154 . . . . 0.0 112.264 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 153.26 74.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.384 2.056 . . . . 0.0 111.994 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -90.57 141.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 -11.2 60.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG22 HD23 ' A' ' 106' ' ' LEU . 15.0 p -155.62 151.25 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.694 0.283 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -139.73 133.68 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.53 128.71 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.326 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 150.62 20.01 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 108.6 2.71 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.401 2.067 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -129.29 143.65 50.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 62.87 -81.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.37 145.66 42.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.38 -173.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.349 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.516 HD12 ' HE1' ' A' ' 36' ' ' TRP . 10.3 tp -56.92 -21.36 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.191 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -58.23 -54.63 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -107.32 144.97 33.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.103 0.478 . . . . 0.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.516 ' HE1' HD12 ' A' ' 33' ' ' ILE . 6.8 m0 -123.19 146.33 47.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.52 128.22 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.66 150.17 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.6 120.3 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -103.53 120.89 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.62 152.21 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.66 24.85 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.755 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.4 5.41 5.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.742 2.294 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 66.73 104.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.06 11.42 3.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.956 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 80.9 p -132.65 159.62 71.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 C-N-CA 122.016 0.126 . . . . 0.0 110.796 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 34.8 Cg_endo -65.43 -3.13 7.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.182 1.921 . . . . 0.0 112.396 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -97.57 -12.86 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.749 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.34 -27.54 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.19 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.34 0.29 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -144.52 177.15 23.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.632 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.8 p -126.68 152.0 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.012 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -130.91 135.07 47.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -111.81 139.44 47.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.601 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.58 164.17 29.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.06 137.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.944 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -112.36 112.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.79 150.67 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -134.36 150.07 50.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -107.05 138.08 43.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.481 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.2 4.08 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.5 -83.11 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 96.7 m-85 -142.53 155.5 63.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 66.9 Cg_endo -73.88 -0.81 9.95 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -104.4 -18.21 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 34.9 mmtp -60.36 146.83 83.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 113.04 3.22 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.466 2.111 . . . . 0.0 112.371 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.8 161.63 43.27 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.327 2.018 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.4 m -116.58 117.97 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.72 145.78 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -159.65 146.63 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -69.32 147.8 50.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.03 -28.45 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.5 t -98.6 157.99 15.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.11 138.48 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 154.28 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -131.11 115.53 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.301 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -132.71 156.64 79.86 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.988 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.0 -18.47 43.21 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.461 2.107 . . . . 0.0 112.314 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -138.47 118.32 13.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.837 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.1 t -153.44 126.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.622 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -72.63 168.2 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.91 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.32 -16.2 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.21 8.39 60.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -68.54 168.64 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -97.89 137.64 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.55 109.92 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.7 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.24 146.24 36.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.526 ' H ' HD13 ' A' ' 89' ' ' LEU . 6.9 m-20 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.243 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 16.5 tt -66.6 -21.85 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.3 mt -76.51 -9.97 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -82.31 -163.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.64 -3.91 17.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -72.92 -17.99 61.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -57.14 142.44 42.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -134.01 142.88 45.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.77 -3.79 13.4 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.569 2.179 . . . . 0.0 112.328 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.4 m -75.05 -41.22 59.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -65.76 -179.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.6 -171.6 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.23 -26.22 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -66.42 -32.58 74.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.6 p -56.29 -42.6 77.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -69.97 -31.76 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 HG22 ' A' ' 24' ' ' VAL . 1.8 mp -65.63 -54.54 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.5 p -65.19 -27.57 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -61.81 -48.56 80.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.1 -34.79 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.478 ' HA ' HD21 ' A' ' 113' ' ' LEU . 61.6 tt0 -59.08 -33.46 70.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -72.24 -29.23 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.428 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.05 -56.35 20.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.563 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.9 OUTLIER -67.41 -22.19 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 0.0 111.003 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.69 -40.67 72.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -171.54 121.15 0.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.13 -165.6 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.438 2.092 . . . . 0.0 112.263 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -111.69 147.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -23.78 72.09 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.485 2.123 . . . . 0.0 112.364 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -70.01 -179.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -79.8 148.01 67.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.81 -160.99 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.02 -6.19 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.209 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -135.66 99.82 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.3 p -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -74.86 -48.39 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.44 65.75 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.67 75.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.34 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.3 -34.87 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.97 -27.63 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -70.25 -49.19 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.441 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.29 -76.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -126.99 85.01 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -63.81 -14.09 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.77 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 10.3 tp10 -78.94 -34.8 44.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -69.41 -48.58 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 -36.8 73.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -64.4 -32.04 73.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.583 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 136' ' ' GLU . 36.9 mmt180 -74.85 -30.99 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.699 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.21 -43.61 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -71.2 -34.46 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.12 19.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.3 pt -58.72 -32.38 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.784 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.599 HG13 ' HA3' ' A' ' 51' ' ' GLY . 48.4 t -74.56 -42.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.365 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.2 -34.65 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.156 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -69.02 -30.2 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -104.17 11.56 34.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -80.66 113.19 18.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -62.01 138.94 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.87 93.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 61.4 p . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.914 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -140.02 147.35 40.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -160.78 165.22 17.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.211 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -79.85 -36.1 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.374 2.05 . . . . 0.0 111.772 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 3' ' ' THR . . . -57.59 -34.06 68.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.452 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' H ' ' CG2' ' A' ' 3' ' ' THR . 46.7 ttp180 -66.34 -45.68 79.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.591 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -59.12 -32.81 70.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.957 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.9 mt -54.68 -33.24 60.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.9 mtp -72.73 -35.96 67.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.91 -37.24 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -70.59 -30.48 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -72.07 -56.1 6.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.424 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -55.8 -31.96 63.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -80.12 -26.23 39.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -71.5 -44.57 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.421 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.53 -27.24 68.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.761 0.315 . . . . 0.0 111.355 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.57 -50.67 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -141.91 70.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.95 144.47 8.27 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.87 146.65 85.4 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.458 2.105 . . . . 0.0 112.294 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.85 118.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.332 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.84 -23.69 31.72 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.673 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.91 166.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 m -149.77 141.89 24.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.512 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -144.59 110.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.636 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.69 151.95 23.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.062 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.71 121.12 8.15 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.508 2.138 . . . . 0.0 112.219 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -97.94 -76.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -106.73 -38.21 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.676 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.04 145.78 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.71 -174.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.14 -20.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.396 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.5 mtp -59.75 -63.83 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -103.65 137.68 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -114.43 144.81 42.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -100.92 102.82 13.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.61 149.89 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.392 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.68 119.9 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.916 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -110.94 122.25 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -95.01 133.77 38.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.759 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.19 146.99 47.74 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.61 177.02 8.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.501 2.134 . . . . 0.0 112.095 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.97 169.73 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.99 21.33 61.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.764 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 p -135.22 157.46 76.72 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 122.933 -0.157 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.9 -2.82 9.36 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.314 2.009 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -102.1 -7.83 21.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.89 -35.05 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.441 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.96 -18.48 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.452 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -106.77 173.73 19.51 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.854 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -135.43 154.81 51.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.74 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.18 139.4 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 111.354 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -115.62 138.45 51.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.457 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.592 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.71 164.07 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.348 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.58 136.09 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.1 112.26 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.1 124.53 36.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -105.48 148.08 27.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.1 p -128.77 144.31 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.273 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 62' ' ' GLU . 2.9 pt-20 -50.92 -87.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.613 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 15.1 mm-40 44.8 -98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 94.2 m-85 -147.09 147.23 28.4 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -62.13 -11.28 21.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.599 2.2 . . . . 0.0 112.462 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -98.33 -15.81 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 41.0 mmtm -67.85 148.33 98.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.83 142.34 28.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.511 2.141 . . . . 0.0 112.486 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.1 172.35 10.84 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.607 2.205 . . . . 0.0 112.451 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -118.0 112.73 20.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -119.99 148.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.877 0.37 . . . . 0.0 111.442 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -158.54 144.31 16.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -70.79 148.36 47.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.3 mt -98.04 -44.6 6.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -82.94 156.77 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.15 124.85 20.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.58 164.18 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -142.59 108.08 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -120.61 157.62 53.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.06 -23.25 67.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.548 2.166 . . . . 0.0 112.264 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -140.97 118.96 11.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.26 144.14 13.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.63 173.59 11.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -31.98 73.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.93 -13.09 56.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.48 4.83 57.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -64.84 163.11 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -99.4 136.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -91.53 101.49 14.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -125.91 150.4 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.766 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.54 ' H ' HD13 ' A' ' 89' ' ' LEU . 10.7 m-20 -78.86 -15.88 57.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -64.74 -28.23 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -67.57 -22.63 65.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -69.78 -165.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -67.87 -1.29 5.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.67 -0.55 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -79.81 140.34 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -121.84 153.02 60.14 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.03 4.56 6.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.626 2.217 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.8 p -89.32 -44.82 9.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -64.07 167.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -128.12 -170.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.43 -29.66 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.74 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.8 p -60.25 -32.5 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -60.07 -47.5 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.361 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -63.05 -31.67 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.902 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.512 HD11 ' HA3' ' A' ' 26' ' ' GLY . 92.9 mt -66.96 -46.55 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.4 p -72.78 -27.35 61.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.314 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -64.78 -48.35 74.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.8 mt -65.8 -35.15 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -66.53 -29.32 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.53 -32.28 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.839 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.05 -44.94 94.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.58 -58.78 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -142.21 100.48 5.82 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.45 -173.34 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.252 1.968 . . . . 0.0 112.315 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -127.7 114.6 20.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.63 15.29 1.08 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.402 2.068 . . . . 0.0 112.613 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.11 -71.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.0 t -120.23 83.5 32.43 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.97 120.42 7.58 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.655 2.237 . . . . 0.0 112.247 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 -51.01 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.832 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.5 103.67 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.414 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -70.52 -30.0 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.281 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -65.16 -45.91 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.304 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.4 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.54 74.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.55 -38.67 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.175 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.27 -27.38 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.93 -31.75 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -103.7 -13.61 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -95.39 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.997 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -128.75 98.72 5.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -73.3 -22.9 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.745 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -69.9 -30.53 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.94 -27.49 49.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.397 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -71.47 -47.07 57.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.828 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.12 -34.07 77.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.2 -32.83 61.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -72.15 -40.21 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.43 -33.32 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.2 t -65.61 -30.44 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.31 -54.05 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.64 -31.11 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.551 HG13 ' HA3' ' A' ' 51' ' ' GLY . 40.0 t -78.16 -39.59 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.72 -32.05 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.48 -40.88 85.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -99.11 14.51 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.24 101.74 10.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.66 144.63 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -146.76 -68.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.838 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HA ' HH21 ' A' ' 6' ' ' ARG . 46.1 t -70.87 104.73 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -113.64 155.75 44.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.253 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.48 -34.03 54.95 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.565 2.177 . . . . 0.0 112.36 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.91 81.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.487 HH21 ' HA ' ' A' ' 2' ' ' SER . 31.2 ttp180 -73.94 -33.74 64.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -57.65 -40.4 79.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -65.26 -36.77 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -28.63 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.004 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.74 -44.85 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.545 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -68.15 -31.04 70.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.284 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.12 -36.0 66.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.339 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -66.2 -39.48 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -52.87 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.326 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 4.0 tpm_? -67.44 -25.37 65.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.377 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.32 -51.75 19.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.574 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -60.41 -28.32 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.471 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.77 -39.35 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.069 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -147.89 80.03 9.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.35 157.84 55.8 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.529 2.153 . . . . 0.0 112.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.08 152.59 70.42 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.443 2.095 . . . . 0.0 112.055 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.88 127.1 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.82 -26.82 22.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.7 m -140.16 155.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t -142.79 142.65 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -147.5 103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.535 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.0 151.51 49.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.74 112.24 3.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.413 2.075 . . . . 0.0 112.223 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -87.53 -74.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -113.69 -29.76 7.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 35' ' ' GLN . 28.5 m-80 -69.74 145.82 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -58.31 177.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -57.46 -22.62 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.51 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.98 -38.97 92.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 54.7 mt-30 -118.56 134.14 55.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.6 m0 -116.64 147.7 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.19 107.12 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.69 149.95 39.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.594 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.86 123.72 52.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.14 128.14 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -100.0 149.86 23.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.09 141.99 29.93 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.418 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.45 144.71 23.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.47 2.113 . . . . 0.0 112.21 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -57.98 128.59 37.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.82 1.97 32.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.3 p -120.83 157.72 53.99 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.379 0.133 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 Cg_endo -67.42 -1.45 6.52 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.442 2.095 . . . . 0.0 112.443 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -103.08 -10.08 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -20.2 66.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.9 -32.11 45.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.295 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.62 -171.07 16.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.81 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -135.74 154.22 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -128.61 156.12 43.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.65 143.4 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.589 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -146.15 163.18 36.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.024 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 36' ' ' TRP . 10.4 p -122.37 146.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 HG23 HG22 ' A' ' 70' ' ' VAL . 4.1 mp -119.36 110.7 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.007 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.57 125.17 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -101.83 155.56 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.8 p -105.22 144.9 31.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.89 5.09 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.13 -82.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 97.5 m-85 -145.91 154.29 50.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.0 10.51 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.264 1.976 . . . . 0.0 112.438 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.56 -14.46 9.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 30.1 mmmt -63.96 151.56 89.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.734 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.04 120.97 9.25 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.395 2.064 . . . . 0.0 112.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.44 -177.62 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.359 2.039 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.3 113.5 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.448 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 HG23 ' A' ' 57' ' ' ILE . 80.9 t -132.48 134.68 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -166.99 135.64 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.96 132.43 48.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.59 -31.86 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.3 t -95.7 155.07 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.27 150.71 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.664 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -159.45 161.96 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.328 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -143.13 108.24 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.599 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -122.09 160.09 48.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -15.1 23.82 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.492 2.128 . . . . 0.0 112.184 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -153.92 118.65 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.459 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 9.9 p -154.55 159.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.27 169.29 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.62 82.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.08 -2.44 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.22 0.06 59.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -60.92 148.7 38.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.736 0.303 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 87' ' ' ILE . 5.0 mp -91.36 132.09 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.405 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.11 96.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.3 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.576 HD22 ' H ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -118.16 144.31 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.984 0.421 . . . . 0.0 111.122 -179.478 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.82 -15.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.576 ' H ' HD22 ' A' ' 89' ' ' LEU . 13.3 tt -73.3 -20.65 18.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.9 mt -71.44 -29.31 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.94 -163.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -64.74 -2.52 2.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.706 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.34 8.67 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 60.4 t-105 -88.79 148.28 24.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 m -143.98 148.99 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.454 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.41 15.9 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.345 2.03 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.9 m -93.54 -45.37 7.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -67.12 175.2 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -137.98 -171.17 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.8 p -59.65 -22.45 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.4 t -69.78 -32.27 70.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.9 t -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.615 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -71.81 -34.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.486 -179.334 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.471 HD11 ' HA3' ' A' ' 26' ' ' GLY . 24.5 mt -61.65 -49.7 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.339 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.5 p -67.28 -27.81 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 89' ' ' LEU . 74.5 m -63.98 -46.05 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.392 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.77 -44.65 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -60.07 -35.61 75.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -65.06 -29.23 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.818 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.06 -23.27 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.695 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.78 -43.86 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.708 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.82 -42.69 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.174 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.58 82.62 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.68 162.26 28.87 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.359 2.039 . . . . 0.0 112.188 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.409 HD21 ' HB3' ' A' ' 119' ' ' ASN . 49.6 t30 -103.7 106.89 54.51 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.06 7.02 2.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.393 2.062 . . . . 0.0 112.576 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.409 ' HB3' HD21 ' A' ' 117' ' ' ASN . 7.0 t30 -86.12 113.27 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.756 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.0 t 56.64 79.97 0.31 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.82 176.02 8.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.657 2.238 . . . . 0.0 112.165 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -111.91 -20.82 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.419 . . . . 0.0 110.312 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -120.54 111.09 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.652 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 56.7 m -70.83 -28.6 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.379 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -74.22 -45.82 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.233 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.19 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.99 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.582 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.82 -50.78 61.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.147 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.1 -27.38 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.056 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.07 -23.57 63.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -98.53 -60.06 1.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.34 -79.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 136' ' ' GLU . 41.4 m-80 -116.8 96.12 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.95 -20.8 63.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -69.43 -37.44 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 133' ' ' ASN . 10.1 mm-40 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -78.37 -52.06 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.426 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.15 -36.36 75.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -61.13 -33.95 74.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -76.18 -40.35 52.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.27 -35.7 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m -69.28 -30.85 69.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.77 -54.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.529 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 pt -57.15 -41.03 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.743 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.22 -30.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.209 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.1 -32.64 74.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -67.05 -24.87 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.5 m -93.6 -4.55 50.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.31 -171.63 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 63.59 8.13 3.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -108.12 -11.12 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.804 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.955 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -155.63 112.86 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p -151.44 154.53 33.62 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.359 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.07 -29.25 40.38 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.68 68.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.21 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HG2' HG12 ' A' ' 33' ' ' ILE . 6.1 tmm_? -66.04 -30.83 71.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.68 -44.71 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -59.57 -43.84 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.6 -28.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.46 -37.29 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -74.97 -28.83 60.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -73.48 -40.32 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.8 -39.78 86.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -51.55 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.654 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 1.2 tpm_? -57.85 -30.35 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.6 -44.37 97.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.97 -45.01 87.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HG3' HH21 ' A' ' 15' ' ' ARG . 8.8 mm-40 -62.38 -25.25 67.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.176 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -160.72 82.22 2.1 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.295 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.47 151.23 25.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.751 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HG3' HD12 ' A' ' 106' ' ' LEU . 55.9 Cg_endo -70.23 141.12 42.5 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.171 1.914 . . . . 0.0 112.244 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.8 137.23 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 -17.19 51.31 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.6 m -144.7 149.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.486 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -128.02 150.1 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.506 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -158.58 85.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.73 152.87 63.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.524 0.202 . . . . 0.0 111.082 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.17 115.71 4.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 112.001 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.8 t -84.93 -87.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -102.96 -5.93 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.568 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -85.15 146.02 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.782 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -61.86 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.257 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG12 ' HG2' ' A' ' 6' ' ' ARG . 9.2 tp -60.15 -26.29 35.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.5 -69.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.522 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.24 140.99 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.8 m0 -120.43 172.18 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.557 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -125.54 112.9 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.484 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.64 150.51 48.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 111.609 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 3.6 p -136.55 132.06 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.421 ' HA ' HG12 ' A' ' 24' ' ' VAL . 84.8 mt -119.79 128.31 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -101.39 142.83 32.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.72 138.91 48.76 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.447 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.75 159.28 51.21 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.392 2.061 . . . . 0.0 112.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.78 116.12 8.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.2 8.9 10.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.8 p -126.99 157.42 72.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.353 0.121 . . . . 0.0 110.827 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.5 Cg_endo -67.02 -1.53 6.33 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.17 1.913 . . . . 0.0 112.283 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.66 -6.25 20.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.26 -31.82 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.55 -45.83 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.7 171.14 55.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.719 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -125.16 152.14 44.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.667 0.27 . . . . 0.0 110.758 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 145' ' ' VAL . 74.6 m-85 -137.11 137.93 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 111.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 67.7 mttm -122.31 128.35 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.314 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.68 164.14 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.4 p -122.33 143.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.619 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.581 HG13 HG23 ' A' ' 70' ' ' VAL . 4.7 mp -116.09 109.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.5 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.68 123.63 33.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.91 150.55 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -113.3 160.8 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -93.07 10.8 29.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -143.96 151.75 53.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.76 -25.53 79.48 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.52 2.147 . . . . 0.0 112.295 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -98.7 -12.87 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.475 ' HE2' ' HD2' ' A' ' 67' ' ' PRO . 1.5 tpmt? -55.27 131.06 69.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 11.7 Cg_endo -54.88 109.05 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.583 2.189 . . . . 0.0 112.277 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 36.1 Cg_endo -65.27 -173.77 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.299 2.0 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.1 m -129.93 137.38 50.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 57' ' ' ILE . 10.4 p -140.16 149.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -165.69 150.61 8.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -77.89 136.55 38.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.237 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.07 -53.53 10.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.841 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -71.23 -13.62 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 56.35 96.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.494 ' HB2' HD12 ' A' ' 144' ' ' ILE . 20.9 ptm -102.53 164.04 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -87.71 121.22 29.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.239 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.87 156.37 62.26 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.741 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.29 -31.92 34.26 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.153 . . . . 0.0 111.868 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 78.5 m-20 -136.11 119.11 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.72 151.71 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -87.37 163.7 16.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.97 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.02 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.9 -13.55 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.03 2.59 74.41 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.583 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -70.36 150.9 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.01 135.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -70.77 105.86 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -152.44 138.59 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' H ' HD13 ' A' ' 89' ' ' LEU . 3.7 m-20 -65.23 -19.05 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 89' ' ' LEU . 14.7 tt -73.23 -27.29 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.281 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.48 -26.4 66.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.97 -167.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -69.45 -0.42 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -72.27 -12.0 60.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.619 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -58.26 144.94 39.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 m -131.14 148.5 70.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.1 -7.89 21.29 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.428 2.086 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.9 p -74.3 -35.48 63.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -74.08 173.36 10.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -125.3 -173.78 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.9 -34.63 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.4 p -60.93 -32.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -57.58 -42.77 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -29.97 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.506 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.0 mt -65.84 -54.16 30.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.777 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.0 p -61.97 -28.59 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.5 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -63.97 -48.41 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.44 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.92 -32.61 74.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.678 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 t -65.71 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.834 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.49 -32.1 69.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.93 -45.08 62.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.27 -64.93 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.071 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.3 107.95 3.62 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.03 -162.39 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.495 2.13 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -127.77 106.89 20.52 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.08 15.58 1.95 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.494 2.13 . . . . 0.0 112.733 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -69.84 -30.1 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 110.767 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.8 m -153.7 113.22 2.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.75 137.23 8.75 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.6 2.2 . . . . 0.0 112.564 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.05 -42.85 6.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 3.4 t-20 -107.14 101.74 11.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.6 p -70.35 -31.22 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.768 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -36.69 84.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.772 0.32 . . . . 0.0 111.311 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.42 -54.82 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.646 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.01 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.399 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.38 -27.17 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.54 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -94.71 -17.81 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -93.34 -79.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.223 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -112.07 99.7 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -72.7 -24.02 60.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.93 -30.17 66.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.03 -27.62 61.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 141' ' ' VAL . 57.9 t80 -75.98 -48.85 19.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.101 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.65 -49.14 77.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.614 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.33 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.18 -32.88 72.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 137' ' ' TYR . 86.8 t -66.89 -45.11 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.2 p -68.78 -30.13 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -52.87 26.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.592 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' A' ' 76' ' ' MET . 34.6 pt -60.88 -38.55 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.469 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.4 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 82.5 t -69.95 -36.22 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.962 0.411 . . . . 0.0 110.787 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.57 -28.72 70.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.032 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.21 -50.78 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.226 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.2 t -98.64 -80.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 54.39 -167.77 0.08 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.591 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 65.97 127.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.979 0.418 . . . . 0.0 111.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -112.89 -40.26 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.967 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.935 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tmm? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -117.75 118.24 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -126.22 154.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.461 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.95 -36.53 22.43 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.666 2.244 . . . . 0.0 112.575 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -57.07 -44.85 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -66.75 -51.87 50.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.438 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -60.2 -29.24 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.754 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -42.87 64.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.691 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.92 -29.15 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.558 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.476 ' HB3' HG12 ' A' ' 102' ' ' VAL . 12.5 m-20 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.69 -44.49 96.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -51.55 -39.71 58.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.171 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -79.52 -25.5 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -68.38 -45.27 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.55 -33.45 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.71 -31.87 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.099 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -159.91 88.8 1.91 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HA ' HD13 ' A' ' 16' ' ' LEU . 36.4 Cg_endo -64.93 158.55 50.78 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.5 2.133 . . . . 0.0 112.31 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 21.4 Cg_exo -64.89 159.43 46.06 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.99 126.88 43.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.62 -30.35 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.67 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.39 148.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.207 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.1 t -131.76 144.67 51.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.514 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.96 115.85 0.7 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.776 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.82 151.19 17.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.376 0.132 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.14 114.83 3.17 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.34 2.027 . . . . 0.0 112.234 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -101.08 -75.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -102.12 -44.3 5.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -66.75 145.91 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.7 -173.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 tt -56.37 -27.73 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -59.32 -62.27 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.128 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.05 134.94 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.062 0.458 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.3 m0 -112.44 150.93 30.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.248 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.88 108.87 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.23 149.31 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.622 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -128.97 121.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -110.59 133.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -104.02 133.81 48.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.83 141.49 44.84 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 114' ' ' ASP . 29.9 Cg_endo -63.1 -177.74 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.395 2.063 . . . . 0.0 112.169 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -87.23 163.25 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.749 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.2 21.47 56.63 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.659 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.436 HG21 ' HG2' ' A' ' 43' ' ' PRO . 74.2 p -126.51 155.76 74.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.472 0.136 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.88 -2.97 10.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.183 1.922 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.85 -7.36 22.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.656 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.11 -29.27 68.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.83 -33.86 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.432 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.64 176.33 34.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.087 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.1 p -136.69 143.78 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 0.0 110.741 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -123.82 145.16 49.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 111.32 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -120.14 136.5 54.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.496 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.68 164.46 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.491 -179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.1 p -122.8 138.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -107.43 110.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.59 139.24 36.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.0 138.91 49.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.572 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -108.25 124.39 50.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.36 94.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.62 -78.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.73 154.25 58.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.81 -7.88 20.84 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.391 2.06 . . . . 0.0 112.409 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -119.97 9.72 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -82.25 131.77 55.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.73 135.3 66.8 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.306 2.004 . . . . 0.0 112.316 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.33 -179.39 5.36 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.454 2.102 . . . . 0.0 112.505 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.01 114.38 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 87' ' ' ILE . 7.9 p -127.1 144.6 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -156.87 149.93 23.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE2' HD12 ' A' ' 55' ' ' LEU . 53.2 m-85 -71.01 144.65 50.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.89 -37.97 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -94.73 177.49 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.983 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 11.3 mmpt? -72.53 135.68 45.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.78 160.73 42.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -138.89 115.96 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -129.92 157.79 75.8 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.95 -25.32 79.21 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.507 2.138 . . . . 0.0 112.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -135.24 119.45 17.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.25 147.84 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.54 -171.86 3.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.14 11.51 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.02 80.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.415 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -65.4 152.95 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.7 0.285 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -92.68 139.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.8 t -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -145.65 139.59 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' H ' HD13 ' A' ' 89' ' ' LEU . 7.2 m-20 -61.55 -25.86 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 89' ' ' LEU . 18.9 tt -69.42 -21.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.71 -18.09 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.42 -163.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.797 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.37 -4.16 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -75.99 -13.89 60.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -58.27 145.12 38.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.5 m -137.4 147.27 57.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.606 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.43 -5.43 17.11 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.356 2.037 . . . . 0.0 112.554 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -76.42 -35.13 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -68.32 178.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.68 177.74 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 12' ' ' ASP . 9.0 p -61.11 -21.98 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.697 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.3 t -68.74 -33.66 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -68.43 -50.25 54.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.391 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -34.37 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.272 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.68 -43.43 97.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.4 p -74.49 -27.29 60.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -61.19 -36.1 78.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.39 -40.15 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -61.81 -42.7 99.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 112' ' ' LEU . 2.8 tm? -58.62 -39.38 80.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.341 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.04 -44.23 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.441 ' HB2' ' HG3' ' A' ' 43' ' ' PRO . 17.3 t70 -57.22 -52.61 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.159 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.52 115.9 1.41 Allowed Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.18 -173.38 1.73 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.472 2.115 . . . . 0.0 112.352 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -105.06 105.04 50.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.927 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -76.69 21.37 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.479 2.12 . . . . 0.0 112.636 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -83.49 -37.08 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.6 t -140.35 85.53 13.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 134.14 44.09 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.551 2.167 . . . . 0.0 112.326 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.97 -41.6 9.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.26 111.9 24.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 p -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.561 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.08 -53.08 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.488 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.38 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.8 76.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.668 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.63 -48.97 62.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.576 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -63.32 -35.61 80.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -98.99 -12.87 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.501 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -97.06 -76.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -114.3 102.53 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.73 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -69.55 -28.97 66.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -61.74 -33.63 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.289 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.72 -28.1 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.355 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -74.38 -49.69 21.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.77 -45.16 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.376 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -58.39 -33.14 69.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.32 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 140' ' ' ARG . 3.6 mmp_? -71.69 -35.06 70.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.25 -50.97 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.3 t -68.14 -30.3 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -56.12 12.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 40.2 pt -59.22 -32.99 49.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.752 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.83 -38.33 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.97 -42.99 95.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.13 -34.85 77.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.7 t -99.63 15.14 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.8 114.18 25.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.818 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -104.86 131.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -110.57 166.77 10.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.824 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -154.08 137.44 15.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -116.58 156.05 48.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.347 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.98 -33.69 62.02 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.585 2.19 . . . . 0.0 112.279 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.68 86.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 10' ' ' MET . 79.9 ttt180 -63.35 -53.64 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.88 -39.39 91.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.435 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 29.2 mmt180 -63.57 -50.64 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -65.1 -30.81 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 74.2 mtp -60.27 -31.18 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -67.16 -30.41 70.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.421 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.31 -30.7 71.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.17 -49.92 70.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -36.62 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.125 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -68.72 -32.04 71.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.2 -46.77 88.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.85 -34.86 73.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.43 -50.66 72.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -140.31 80.53 19.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.689 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 33.8 Cg_endo -64.37 139.85 67.21 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.551 2.167 . . . . 0.0 112.292 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.3 Cg_exo -64.36 145.97 89.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.456 2.104 . . . . 0.0 112.145 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.31 135.17 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.13 -17.67 49.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.678 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' HB ' HD12 ' A' ' 106' ' ' LEU . 31.4 m -141.27 144.88 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 111.55 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -123.46 156.33 35.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.352 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 98.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.673 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.54 152.66 27.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.471 0.177 . . . . 0.0 111.063 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.31 110.23 2.61 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.475 2.117 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 t -86.85 -79.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -116.48 -15.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 16.3 m120 -78.08 146.9 34.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.33 178.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.791 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 9' ' ' LEU . 9.0 tp -62.39 -32.57 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.58 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -77.85 1.89 18.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.579 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 45.8 tt0 -144.06 112.1 6.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 111.03 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.454 ' O ' HG23 ' A' ' 56' ' ' VAL . 19.6 m0 -108.44 152.78 24.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -102.89 112.67 25.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -127.83 149.99 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.436 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.2 121.33 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HA ' HG12 ' A' ' 24' ' ' VAL . 72.1 mt -104.78 126.54 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.325 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -93.58 137.28 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.58 136.45 41.88 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HD3' HD12 ' A' ' 113' ' ' LEU . 59.1 Cg_endo -71.89 137.22 29.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.68 112.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.85 -6.74 6.14 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -115.56 158.35 41.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.29 0.09 . . . . 0.0 110.817 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.51 -1.19 3.64 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.234 1.956 . . . . 0.0 112.548 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.63 -13.88 16.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -20.72 65.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.38 -27.26 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.687 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -125.39 -169.15 12.86 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.828 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.3 p -132.24 166.94 20.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.71 0.29 . . . . 0.0 110.69 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -144.01 139.05 28.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.0 123.25 45.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.25 163.49 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.24 -179.728 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 73' ' ' LEU . 7.2 p -117.05 141.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 mp -112.14 109.78 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.69 132.59 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -109.74 151.15 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -101.56 145.19 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.75 11.87 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.45 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.004 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 82.6 m-85 -147.11 154.37 46.28 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 57.3 Cg_endo -71.75 4.38 3.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.473 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -113.99 -17.05 12.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.026 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 45.2 mmtm -64.9 153.86 87.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 37.9 Cg_endo -66.37 114.01 2.89 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.51 2.14 . . . . 0.0 112.201 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 31.8 Cg_endo -64.05 179.63 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.465 2.11 . . . . 0.0 112.608 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.15 136.76 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.34 138.69 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -152.93 140.13 19.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.35 154.93 36.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 ' HB ' ' A' ' 56' ' ' VAL . 95.6 mt -111.77 -38.13 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -87.12 24.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 62.56 162.65 0.09 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -162.61 164.2 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -141.36 107.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -129.16 155.98 79.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.55 -25.97 80.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.53 2.154 . . . . 0.0 112.047 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.601 HD22 ' HG2' ' A' ' 118' ' ' PRO . 71.7 m-20 -133.01 118.28 18.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.53 151.32 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.688 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.63 161.78 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.41 -13.58 59.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.12 1.6 62.79 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -65.52 152.66 43.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.2 mp -82.73 135.56 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 79.2 m -78.59 101.67 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.99 143.43 31.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.36 -23.28 54.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 16.3 tt -69.63 -22.6 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.17 -10.3 47.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.92 -158.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.86 -12.28 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -74.17 -10.76 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.058 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 57.9 t-105 -57.8 134.91 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 70.2 m -122.68 145.93 46.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 11.4 Cg_exo -71.17 -1.14 9.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.658 2.238 . . . . 0.0 112.603 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 t -80.51 -26.04 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.564 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -75.67 -179.02 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.65 -173.71 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.26 -25.14 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.8 m -71.04 -32.47 69.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.223 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.2 t -62.36 -51.89 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.518 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.62 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.156 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -62.7 -52.67 62.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.9 p -71.85 -27.45 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.511 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.0 m -58.07 -48.61 79.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.6 -36.88 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -62.01 -32.91 73.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.719 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.0 m -64.43 -29.63 70.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.25 -24.11 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.52 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -82.24 -44.7 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.822 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.9 -36.6 59.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.296 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.65 99.41 24.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -48.69 -23.7 5.88 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.759 2.306 . . . . 0.0 112.798 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -128.96 103.06 18.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.767 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.601 ' HG2' HD22 ' A' ' 80' ' ' ASN . 93.4 Cg_endo -86.62 14.66 2.38 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.621 2.214 . . . . 0.0 112.038 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 61.37 171.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.801 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t 55.72 87.97 0.13 Allowed Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.79 124.07 13.43 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.532 2.154 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 80' ' ' ASN . . . -106.52 -37.45 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -111.12 108.36 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.5 m -69.68 -30.73 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.19 -52.29 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 111.156 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.12 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.42 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.65 -34.97 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -73.13 -44.67 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.65 -27.51 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.89 -39.4 93.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.69 -10.28 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.171 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.5 -80.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -116.57 98.25 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -69.35 -23.37 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.24 -35.49 79.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -74.63 -27.31 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -75.62 -41.58 53.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.272 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.19 -33.68 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.91 -32.1 67.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -73.02 -44.56 60.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.78 -37.18 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.9 p -71.58 -30.48 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -55.91 9.45 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 38.7 pt -56.25 -31.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 51' ' ' GLY . 31.1 t -79.26 -31.99 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.49 -43.19 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.26 -31.23 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.309 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.0 m -101.06 13.48 35.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.56 169.0 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.598 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -65.2 174.0 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.7 102.75 12.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.795 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.937 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.788 0.327 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -98.74 157.81 16.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -167.79 165.55 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.927 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.62 -32.24 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.438 2.092 . . . . 0.0 112.178 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.73 75.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 3' ' ' THR . 4.2 tmm_? -66.11 -48.6 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.042 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.76 -33.8 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.677 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -63.9 -46.4 85.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.113 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.46 -28.79 63.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.54 -39.6 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -73.33 -31.69 64.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.031 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.6 -40.08 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.267 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -68.55 -32.46 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.019 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -69.48 -39.82 77.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -79.84 -25.46 40.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.48 -43.36 73.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.344 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -66.96 -30.08 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.359 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 13.8 mm-40 -64.82 -51.05 64.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.802 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.04 82.87 8.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.51 158.15 47.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.497 2.132 . . . . 0.0 112.294 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.12 157.66 56.19 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.485 2.124 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.28 141.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.63 -23.19 7.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.1 m -140.09 158.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.9 t -141.48 144.41 34.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -149.13 117.31 0.86 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.57 151.5 15.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.502 0.192 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.8 115.1 3.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.494 2.129 . . . . 0.0 112.345 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 m -99.78 -71.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -82.67 -63.79 1.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -65.39 146.53 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.53 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.0 tt -123.9 -27.69 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -51.83 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -89.42 143.82 26.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -119.88 144.02 47.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.284 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.82 113.1 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.85 149.88 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.305 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -128.23 128.71 68.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.497 ' HA ' HG12 ' A' ' 24' ' ' VAL . 77.1 mt -116.51 125.72 73.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -98.23 140.42 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.59 139.61 48.08 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.703 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' HD12 ' A' ' 113' ' ' LEU . 69.3 Cg_endo -74.58 153.18 43.84 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.504 2.136 . . . . 0.0 112.398 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.21 115.6 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.17 16.78 5.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -135.76 157.43 76.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.416 0.15 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.77 0.6 3.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.599 2.199 . . . . 0.0 112.18 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.12 -8.8 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.61 -28.26 65.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.02 -20.74 30.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.483 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -108.29 178.74 21.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.876 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.2 p -135.31 146.43 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -129.47 149.63 51.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -126.84 138.99 53.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.91 164.32 29.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.07 137.49 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.879 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -108.99 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -91.62 125.05 36.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.99 146.53 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 m -112.99 134.13 54.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.42 11.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.625 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -57.2 -80.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.257 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -141.48 155.58 67.19 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.26 -9.73 26.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.51 2.14 . . . . 0.0 112.313 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -110.07 -14.32 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.76 130.81 85.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.42 135.14 64.74 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.392 2.062 . . . . 0.0 112.482 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.57 174.29 12.0 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.496 2.13 . . . . 0.0 112.33 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 140.66 50.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.09 143.79 17.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -158.62 144.21 16.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.038 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.57 142.3 50.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -79.81 -32.72 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 m -97.06 155.01 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 17.2 tptp -71.26 115.9 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 144' ' ' ILE . 63.3 ttp -124.16 143.79 50.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.018 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' H ' HD13 ' A' ' 144' ' ' ILE . 71.2 t80 -103.41 110.58 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -130.47 138.74 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -46.65 -29.02 7.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.93 2.42 . . . . 0.0 112.911 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -131.57 118.57 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.25 156.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -96.78 171.85 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.76 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.7 -3.75 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.91 75.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.406 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.6 m -70.56 -178.29 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.658 0.266 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.47 138.41 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.47 93.78 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -107.17 150.09 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.523 ' H ' HD13 ' A' ' 89' ' ' LEU . 29.9 t70 -75.1 -8.39 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 89' ' ' LEU . 15.3 tt -73.07 -16.9 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.51 -8.42 59.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -85.17 -155.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -62.86 -11.74 20.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.31 -8.3 57.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -62.06 140.32 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.5 m -123.44 146.55 50.04 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.11 -30.79 8.45 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.412 2.075 . . . . 0.0 112.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 30.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.723 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -55.18 169.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -137.2 147.14 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.48 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.2 t -56.89 -31.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.86 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.5 t -65.35 -46.6 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -61.11 -30.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.739 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' HA3' ' A' ' 26' ' ' GLY . 85.7 mt -73.64 -49.29 26.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -64.29 -27.74 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -66.69 -46.07 76.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -72.95 -36.14 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.45 -36.67 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.055 0.455 . . . . 0.0 110.595 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.7 m -68.93 -29.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.83 -28.51 64.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.772 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.417 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -75.39 -44.02 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.401 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.81 -66.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.887 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 7.4 pt-20 -128.77 98.28 25.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 115' ' ' GLU . 19.3 Cg_endo -60.9 162.68 18.21 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.304 2.003 . . . . 0.0 112.166 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -98.19 121.01 58.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.941 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.6 25.85 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.541 2.161 . . . . 0.0 112.678 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -68.39 -164.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.4 t -54.62 112.17 3.7 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.67 138.61 85.74 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.575 2.183 . . . . 0.0 112.668 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.77 -29.52 14.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.805 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 47.7 t-20 -121.3 118.53 29.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.372 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -69.8 -49.55 51.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.543 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -61.47 -47.87 83.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.53 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -54.52 -49.67 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.628 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.36 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.421 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.17 -32.33 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.335 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.99 -27.15 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.12 -28.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.38 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.62 -43.71 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.28 -78.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -112.76 91.29 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 4.7 ttpm? -66.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -32.51 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.31 -27.23 61.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.09 -50.5 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.45 -35.94 75.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -67.81 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -71.67 -33.36 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.93 -48.48 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.345 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.5 m -66.65 -30.42 70.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.35 3.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 76' ' ' MET . 43.2 pt -56.6 -31.96 35.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.784 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.499 HG13 ' HA3' ' A' ' 51' ' ' GLY . 41.5 t -72.44 -46.28 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 41.2 mt-10 -62.57 -34.22 76.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.662 0.268 . . . . 0.0 111.384 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -66.33 -45.41 80.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.4 m -95.21 13.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' TRP . . . . . 0.462 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 5.4 t90 -73.18 -60.61 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.62 135.15 33.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.29 -19.81 13.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.982 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.696 0.284 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -145.93 165.59 20.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.105 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 9.8 Cg_endo -79.21 -32.48 1.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.329 2.019 . . . . 0.0 111.997 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.54 -34.08 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.105 0.478 . . . . 0.0 110.299 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' HG22 ' A' ' 3' ' ' THR . 52.3 mtp180 -66.45 -50.71 62.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.971 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.507 ' HE ' ' HA ' ' A' ' 4' ' ' PRO . 83.9 mtm180 -59.95 -34.4 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -59.46 -49.83 76.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.23 -36.28 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtt -66.73 -36.25 82.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -66.24 -33.05 74.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.631 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.99 -30.58 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -69.95 -50.29 43.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.222 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -32.26 72.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -79.49 -25.46 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -73.44 -44.44 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.55 -40.47 95.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.578 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.56 -21.32 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.37 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -170.77 85.16 0.52 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.386 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.98 162.53 26.27 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.618 2.212 . . . . 0.0 112.281 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.3 142.11 26.59 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.489 2.126 . . . . 0.0 112.15 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.32 128.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.96 -23.68 30.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.658 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG12 HG23 ' A' ' 40' ' ' ILE . 20.0 m -140.59 139.51 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.695 0.284 . . . . 0.0 111.35 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -115.19 142.39 46.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.41 90.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.585 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.32 155.25 61.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.47 0.176 . . . . 0.0 111.062 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.39 120.06 6.95 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.379 2.052 . . . . 0.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 m -115.98 93.96 4.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.52 -4.49 0.56 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -95.47 146.12 24.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.92 163.37 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -57.45 -22.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.31 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -92.87 132.33 37.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -119.59 153.08 36.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -103.68 129.16 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.99 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.25 150.8 35.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.0 111.692 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 54' ' ' LYS . 7.3 p -136.36 134.5 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.739 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.416 HG23 HG12 ' A' ' 24' ' ' VAL . 83.1 mt -117.54 130.14 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -97.78 133.91 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.96 149.02 22.55 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' HD12 ' A' ' 113' ' ' LEU . 52.3 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.465 2.11 . . . . 0.0 112.403 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.14 120.59 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.4 14.49 12.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 75.3 p -127.05 158.19 69.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.983 -0.128 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 44.1 Cg_endo -68.19 3.7 1.94 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.39 2.06 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.2 -10.54 14.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.784 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.17 -28.86 63.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.96 -27.31 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.382 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.42 174.11 29.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.901 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.6 p -133.26 129.81 38.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -115.37 135.97 53.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.19 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 39' ' ' VAL . 8.6 mtmm -111.88 147.61 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.588 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -145.02 164.38 31.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.349 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.0 139.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.983 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -114.06 115.96 51.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -101.68 138.47 38.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -116.6 155.88 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -103.89 134.32 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.683 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.89 -8.14 26.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.366 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.33 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.785 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -148.13 148.88 30.88 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.39 -15.87 52.05 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.564 2.176 . . . . 0.0 112.541 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.22 -25.07 20.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.519 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.2 147.54 17.76 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 71.8 Cg_exo -51.9 110.22 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.435 2.09 . . . . 0.0 112.36 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 39.1 Cg_endo -66.4 160.43 45.55 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.408 2.072 . . . . 0.0 112.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 m -122.4 118.15 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 HD13 ' A' ' 87' ' ' ILE . 9.4 p -136.77 141.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -156.94 153.53 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.99 141.66 38.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.0 -36.38 30.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.275 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -86.01 171.67 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.747 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -94.17 119.09 32.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.047 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.1 ptm -128.92 162.89 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.47 ' H ' HD13 ' A' ' 144' ' ' ILE . 58.0 t80 -118.52 108.05 14.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.593 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -119.1 138.15 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.18 -24.24 14.61 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.591 2.194 . . . . 0.0 112.321 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -140.38 118.31 11.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.427 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -154.76 158.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -86.02 176.83 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.26 69.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.383 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.47 -14.19 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.57 10.98 34.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.614 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -65.18 160.27 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.459 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -96.11 143.0 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.79 110.28 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -144.77 143.98 30.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.756 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.529 ' H ' HD13 ' A' ' 89' ' ' LEU . 5.1 p-10 -70.62 -24.51 62.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.545 HG22 HD12 ' A' ' 89' ' ' LEU . 15.3 tt -69.88 -22.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -70.82 -29.23 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.044 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.45 -163.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -64.77 -4.89 4.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.306 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.9 -6.41 44.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.59 141.27 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.7 m -129.02 150.02 74.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.03 12.79 2.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.54 2.16 . . . . 0.0 112.703 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.6 p -97.92 -16.47 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.11 160.32 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -107.7 -172.81 2.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.79 -22.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -70.37 -32.61 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.6 t -57.12 -51.64 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.204 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -27.96 34.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.91 -46.3 85.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -74.63 -28.79 61.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.542 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.0 m -57.03 -48.64 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.225 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.32 -38.04 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.77 -35.2 77.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.4 t -70.84 -29.32 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.017 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.74 -26.89 64.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.423 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -76.3 -41.34 48.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.97 -62.15 2.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.931 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -142.18 100.54 5.83 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.36 -169.97 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.434 2.089 . . . . 0.0 112.468 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -106.97 115.98 59.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.46 5.17 5.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.236 1.957 . . . . 0.0 112.247 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -108.22 123.81 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.6 m 56.37 87.21 0.15 Allowed Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.239 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.1 160.34 33.27 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.526 2.151 . . . . 0.0 112.211 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.427 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -104.49 -16.66 15.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 19.9 t-20 -134.58 100.44 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.43 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 76.0 p -66.44 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.46 -50.84 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -56.43 -47.12 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.3 75.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -60.56 -51.33 69.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.11 -30.94 70.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.361 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -57.35 -33.7 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -104.08 -15.07 15.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -96.34 -76.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -102.47 83.68 2.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.08 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 8.1 mtpm? -66.41 -27.54 67.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -70.38 -30.68 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.407 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -79.08 -27.69 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -74.88 -45.55 42.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.47 -51.92 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.173 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -57.07 -31.99 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.55 -35.84 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.079 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 145' ' ' VAL . 60.4 t -60.04 -46.78 93.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.0 t -70.59 -30.22 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.283 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.55 -57.46 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.61 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 77' ' ' PHE . 35.6 pt -59.21 -40.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.433 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.2 t -64.47 -48.27 85.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.431 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.01 -35.84 59.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.661 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -64.33 -43.39 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.9 t -98.95 15.71 24.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -90.01 -10.11 46.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -149.22 -3.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 21.9 t70 61.04 13.59 4.73 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.397 -0.811 . . . . 0.0 111.257 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -169.52 138.74 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -137.29 155.0 75.96 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.22 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.56 -29.67 90.48 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.654 2.236 . . . . 0.0 112.444 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.89 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.65 -52.98 62.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.83 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.357 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -36.32 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 55.2 mtt -57.28 -39.5 75.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.826 0.346 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -59.89 -30.21 68.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -62.55 -48.47 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -55.42 -40.83 71.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 0.0 109.937 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -63.44 -31.7 72.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.022 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.24 -42.26 84.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.7 -39.52 80.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.235 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.19 -35.06 78.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.148 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -163.39 89.25 1.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.511 ' HA ' HD13 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -65.81 157.04 61.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.189 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HG3' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -59.64 154.09 51.12 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 112.053 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.99 137.49 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.78 -22.63 8.83 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.381 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 40' ' ' ILE . 18.9 m -139.7 167.9 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 p -146.66 133.92 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.555 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -143.93 111.17 0.61 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.6 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.56 154.27 22.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.62 109.56 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.324 2.016 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.3 p -70.61 -62.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.73 -33.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -62.81 146.75 51.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.669 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -48.29 167.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' HE1' ' A' ' 36' ' ' TRP . 19.5 tt -58.08 -18.69 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.741 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.8 mtp -74.72 -2.45 26.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.338 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -147.32 115.42 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.69 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' HE1' HG13 ' A' ' 33' ' ' ILE . 13.6 m0 -111.17 139.42 46.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -104.05 124.34 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.22 150.17 48.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 0.0 111.646 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -119.8 109.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.492 ' HA ' HG12 ' A' ' 24' ' ' VAL . 61.8 mt -103.83 134.11 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -105.06 130.74 53.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.25 144.34 42.75 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.49 155.6 59.39 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.417 2.078 . . . . 0.0 112.367 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.09 118.56 14.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.52 16.61 6.42 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.515 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 66.7 p -131.54 159.52 71.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.318 0.104 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.9 Cg_endo -66.83 2.95 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.201 1.934 . . . . 0.0 112.412 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.7 -7.23 16.46 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.93 -31.56 72.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.495 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.5 2.49 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.552 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.54 179.83 18.37 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -131.18 161.02 33.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -139.81 159.33 42.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -135.05 134.9 40.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.685 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.38 164.13 29.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.313 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 p -119.72 134.41 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -107.54 110.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.69 144.5 25.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.93 133.07 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -96.47 140.83 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.96 9.39 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.67 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -144.17 154.05 57.19 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.92 -19.61 64.05 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.45 2.1 . . . . 0.0 111.958 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HA ' ' HE1' ' A' ' 96' ' ' TRP . 26.0 t-20 -95.74 -15.86 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 51.8 tptt -60.79 128.93 89.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 24.5 Cg_endo -61.72 115.8 3.02 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.295 1.997 . . . . 0.0 112.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.69 178.85 0.6 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.365 2.043 . . . . 0.0 112.247 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 m -125.32 120.36 30.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -128.69 146.05 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -160.89 150.85 17.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.8 136.18 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.17 -45.06 16.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -86.1 169.86 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -57.94 135.63 56.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -145.7 160.25 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.072 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -148.9 111.37 4.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -131.73 156.03 80.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.76 -22.68 74.11 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.398 2.065 . . . . 0.0 112.316 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -130.93 118.35 20.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 123' ' ' ASN . 9.2 p -154.83 161.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.66 172.02 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.868 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.99 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.61 -11.77 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.5 1.64 60.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.695 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -65.96 169.74 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -105.0 149.65 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.57 104.74 15.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.4 mp -119.98 126.48 50.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.33 -18.72 61.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.285 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 tt -70.28 -24.27 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.738 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.2 -20.37 51.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -71.26 -160.82 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.83 -10.2 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -82.14 9.25 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.455 ' HE1' ' HA ' ' A' ' 65' ' ' ASN . 56.7 t-105 -80.75 145.93 31.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 t -137.02 145.74 51.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.96 -3.76 8.91 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.355 2.037 . . . . 0.0 112.061 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.2 m -80.58 -46.36 15.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.51 143.57 23.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -124.24 -171.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.329 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 105' ' ' ILE . 62.5 t -56.79 -26.62 24.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.9 m -69.05 -32.36 71.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.4 m -73.19 -48.21 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.075 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.36 -37.99 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.664 0.269 . . . . 0.0 111.515 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.555 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.9 mt -67.96 -52.01 40.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.6 p -60.96 -27.31 68.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.365 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.9 m -67.22 -48.49 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.6 -39.2 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -60.26 -46.32 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.5 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -68.77 -29.1 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.69 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.59 -36.86 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 35.4 t70 -57.12 -62.79 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.2 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.414 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 39.0 mt-10 -137.3 98.07 10.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.311 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.85 -163.43 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.428 2.085 . . . . 0.0 112.037 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -118.64 104.62 47.05 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.0 15.89 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.584 2.19 . . . . 0.0 112.429 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -81.7 -65.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -105.41 103.7 44.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.25 119.62 6.1 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 0.0 112.526 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -90.72 -28.03 18.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.416 ' HB2' HG12 ' A' ' 81' ' ' VAL . 9.4 t-20 -123.36 100.27 6.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.249 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.0 t -65.22 -31.23 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.003 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.54 -49.72 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 111.626 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.85 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.908 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.84 87.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.595 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.33 -45.65 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 132' ' ' GLU . 89.5 mt -62.58 -26.93 68.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.19 -37.19 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -103.22 -31.49 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.212 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 129' ' ' LEU . 21.4 mm-40 -69.27 -75.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.37 99.56 6.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -69.68 -28.89 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.97 -34.36 77.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.62 -27.53 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -71.88 -48.26 47.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.22 -34.08 74.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.443 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.7 -30.33 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -74.52 -45.13 47.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.98 -33.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.5 p -71.49 -30.67 66.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.38 14.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.4 pt -56.69 -32.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 52.5 t -79.06 -36.63 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.32 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.28 -44.42 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.25 -29.33 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.0 m -104.07 10.01 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 2.2 t90 -82.91 114.23 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.75 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -154.38 -56.57 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.13 137.26 35.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.094 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -80.11 158.52 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -159.99 165.4 17.89 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.04 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -80.2 -31.24 1.78 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.435 2.09 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.511 ' H ' HG23 ' A' ' 3' ' ' THR . . . -61.67 -33.84 74.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.37 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -73.1 -40.21 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -62.55 -40.09 95.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -62.66 -46.14 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.74 -33.73 64.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 67.6 mtt -62.01 -41.4 98.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.62 -29.41 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 102' ' ' VAL . 22.5 m-20 -72.22 -43.48 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -65.19 -36.33 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.334 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -66.62 -34.53 78.09 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -79.42 -30.06 42.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -34.64 76.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.97 -34.97 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.36 -40.74 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.304 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -157.19 86.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 153.34 78.3 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.101 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 103' ' ' SER . 19.5 Cg_endo -61.35 157.58 39.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.345 2.03 . . . . 0.0 112.229 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.57 143.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.71 -3.75 11.5 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.751 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 106' ' ' LEU . 9.5 p -157.03 150.5 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -139.4 134.54 32.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.562 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -139.45 119.52 1.7 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.82 150.88 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.405 0.145 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.14 116.19 4.61 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 112.267 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -97.59 -86.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.86 -19.81 17.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -81.77 145.74 30.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -61.38 179.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -56.71 -22.24 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.769 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.2 mtp -61.03 -58.98 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -103.78 147.36 27.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.098 0.475 . . . . 0.0 111.26 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -122.23 148.81 44.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.655 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -100.82 107.52 19.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.24 148.39 45.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.87 126.29 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.65 135.15 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.317 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -109.76 128.05 55.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.91 141.54 24.06 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.75 171.7 11.72 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.385 2.057 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.93 120.7 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.15 10.33 13.97 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.587 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 73.0 p -125.17 157.77 66.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.37 0.129 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HB2' HG11 ' A' ' 141' ' ' VAL . 38.2 Cg_endo -67.07 -1.84 6.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.226 1.951 . . . . 0.0 112.046 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -101.98 -7.86 22.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.35 -34.27 73.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.07 -2.6 58.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -122.0 177.24 16.47 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.754 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -136.8 153.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.071 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -137.97 153.91 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -127.95 151.71 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -156.08 153.92 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.65 147.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.337 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -119.11 112.78 39.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -99.64 124.47 44.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.15 145.78 28.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -98.0 140.54 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.01 1.38 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.19 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.75 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.595 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 66.5 m-85 -148.68 152.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.703 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 15.5 Cg_exo -68.16 -8.36 22.57 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.7 2.267 . . . . 0.0 112.881 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -105.56 -5.01 20.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.595 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 32.2 mmtp -72.68 149.86 90.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.847 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.18 111.54 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.624 2.216 . . . . 0.0 112.444 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.5 -176.72 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.422 2.081 . . . . 0.0 112.395 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -131.15 116.17 17.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 62.1 t -137.39 142.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.136 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -168.14 143.07 3.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.78 120.99 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.56 -29.38 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.408 . . . . 0.0 110.265 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 p -84.5 169.61 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -78.39 122.58 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.61 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.53 163.7 32.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.474 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -142.08 114.47 8.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.429 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -124.26 156.64 66.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.28 -15.45 49.63 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.512 2.142 . . . . 0.0 112.302 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -147.64 118.26 7.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 12.2 p -154.97 150.42 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.667 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.14 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.71 -15.61 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.672 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.63 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 t -81.36 151.1 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.313 . . . . 0.0 110.793 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp -76.65 133.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.1 t -78.19 106.59 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -148.39 141.36 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.604 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.07 -15.73 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.454 HG22 ' HB3' ' A' ' 89' ' ' LEU . 19.7 tt -72.3 -30.72 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.8 mt -75.06 -7.15 52.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -80.78 -162.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -67.25 -4.91 11.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -78.94 -13.5 59.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.105 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 62.7 t-105 -58.95 143.45 48.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 m -134.45 147.26 62.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.06 -2.54 12.17 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.245 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -75.08 -37.55 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.62 169.28 11.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -120.63 -174.15 2.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.32 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 12' ' ' ASP . 87.1 t -63.08 -26.24 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.177 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 21' ' ' PRO . 50.4 m -69.78 -32.2 70.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -63.97 -51.87 62.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.748 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -33.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.316 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.562 HD11 ' HA3' ' A' ' 26' ' ' GLY . 63.5 mt -67.36 -50.22 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.1 p -64.09 -27.46 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.7 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 p -62.5 -47.82 82.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.49 -39.19 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.3 -40.0 80.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -71.67 -29.35 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.4 tm? -55.31 -34.31 64.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.583 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.58 -42.61 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.767 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.86 -33.62 73.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.045 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -105.57 94.38 8.48 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.88 -17.1 53.6 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -124.38 103.66 32.2 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.765 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.66 22.92 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.655 2.237 . . . . 0.0 112.023 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.7 t30 62.76 11.63 5.06 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.915 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.2 t -166.66 84.85 0.89 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.21 154.37 61.81 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.518 2.145 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -112.21 -25.55 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -116.77 105.3 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -66.78 -36.64 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.298 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 -47.27 84.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.45 54.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.28 75.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.44 -45.33 84.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.235 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.56 -27.2 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.14 -36.38 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.429 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -95.86 -11.69 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.174 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -96.7 -73.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.928 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -123.44 100.75 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.38 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -57.66 -42.56 83.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -35.21 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.43 -47.56 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.29 -30.57 70.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -76.17 -31.81 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 47' ' ' PRO . 59.8 t -71.66 -48.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.9 p -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.28 -55.66 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.712 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 47.3 pt -60.12 -32.36 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.767 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.437 HG13 ' HA3' ' A' ' 51' ' ' GLY . 54.8 t -71.56 -46.39 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.98 -32.6 73.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.317 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.75 -38.47 73.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.0 t -101.5 15.41 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.68 168.7 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.657 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.14 112.51 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.87 -50.76 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.754 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.873 179.901 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.48 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -80.0 -31.92 1.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.365 2.043 . . . . 0.0 111.857 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 3' ' ' THR . . . -61.82 -33.97 75.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -68.85 -45.53 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.113 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HD3' HH21 ' A' ' 11' ' ' ARG . 42.4 ttm180 -59.03 -42.27 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.039 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -58.95 -44.15 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.17 -29.95 67.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.55 -32.76 64.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.456 HH21 ' HD3' ' A' ' 7' ' ' ARG . 97.5 mtt180 -74.83 -28.37 60.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.745 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.02 -37.63 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.245 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.06 -53.09 62.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.247 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -38.55 83.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.47 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -66.73 -26.7 67.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -71.45 -35.51 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -69.8 -33.69 72.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -64.15 -39.17 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -162.3 84.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.61 155.65 44.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.585 2.19 . . . . 0.0 112.312 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.6 137.57 46.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.376 2.05 . . . . 0.0 112.182 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.41 132.76 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.63 -27.95 17.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.716 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.54 HG13 HE21 ' A' ' 110' ' ' GLN . 16.9 m -138.65 143.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 111.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.7 m -123.5 141.82 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.94 89.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.581 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.2 53.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.505 0.193 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.56 128.61 12.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.552 2.168 . . . . 0.0 112.28 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 t -96.76 -89.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.7 -36.02 9.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 35' ' ' GLN . 7.1 p30 -60.33 146.18 45.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.791 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.34 176.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.389 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.63 -22.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.391 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -63.63 -61.04 2.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . 35.1 tt0 -91.35 134.33 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -118.43 160.78 21.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -111.79 110.74 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.287 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.18 149.79 50.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 111.703 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.99 136.69 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 82.6 mt -121.7 129.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.089 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.46 145.31 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.592 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.34 142.38 42.77 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HD3' HD12 ' A' ' 113' ' ' LEU . 29.4 Cg_endo -62.5 173.98 3.12 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.48 2.12 . . . . 0.0 112.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.59 129.83 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.26 26.44 23.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.5 p -135.25 158.49 74.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.396 0.141 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HB2' HG11 ' A' ' 141' ' ' VAL . 17.0 Cg_exo -66.73 -1.42 5.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.444 2.096 . . . . 0.0 112.249 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.2 -9.91 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.65 -39.27 67.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.988 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.35 -21.61 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.88 169.23 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.987 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -132.85 137.1 46.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -133.01 133.51 43.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 54' ' ' LYS . 10.9 mptt -114.32 139.82 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.134 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.77 155.72 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.94 141.67 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.509 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.33 109.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.587 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.5 123.78 33.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -100.71 163.86 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.9 p -127.78 151.99 48.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.64 9.48 9.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -60.63 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 66' ' ' LYS . 99.0 m-85 -144.27 152.55 54.35 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.43 -12.64 34.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.599 2.199 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -117.42 4.8 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 63' ' ' TYR . 23.2 tptm -74.44 130.88 81.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.02 109.15 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.478 2.118 . . . . 0.0 112.396 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.0 -172.0 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.424 2.083 . . . . 0.0 112.524 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.6 m -130.79 135.03 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.4 146.8 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -162.9 148.18 11.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -75.21 139.76 42.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.74 -31.65 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.803 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 m -96.09 124.33 40.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.76 109.17 5.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' A' ' 144' ' ' ILE . 25.8 mmt -133.91 163.94 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.187 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.515 ' H ' HG21 ' A' ' 144' ' ' ILE . 45.3 t80 -85.01 129.26 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -135.67 157.46 76.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 30.8 Cg_endo -62.96 -28.54 75.14 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.616 2.211 . . . . 0.0 112.23 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -147.72 119.62 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -153.55 146.51 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -87.11 172.53 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.69 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -88.46 -11.2 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.74 -0.29 60.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 m -66.6 167.02 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.781 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.1 mp -105.34 143.52 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.26 153.95 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -63.15 -22.95 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.6 mt -71.69 -33.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' HB3' HE22 ' A' ' 93' ' ' GLN . 56.6 tp -59.06 -25.39 63.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.464 HE22 ' HB3' ' A' ' 92' ' ' LEU . 2.2 mp0 -82.98 -169.26 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.18 -0.21 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -72.3 -11.44 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.058 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -61.23 127.24 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 m -99.0 138.43 20.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.42 2.6 7.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.437 2.091 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.7 m -81.55 -39.98 23.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -75.92 174.2 10.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.06 -175.74 2.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.208 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.14 -27.77 42.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -56.23 -32.67 64.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -61.22 -35.4 77.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -32.44 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.723 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.33 -43.98 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.7 p -73.9 -27.28 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -60.5 -47.46 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.9 mt -72.52 -34.77 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.54 HE21 HG13 ' A' ' 24' ' ' VAL . 33.0 tt0 -57.88 -43.99 86.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -70.24 -29.64 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.1 tm? -58.21 -38.54 76.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.145 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' HD3' ' A' ' 43' ' ' PRO . 2.7 mt -59.76 -43.2 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.9 -53.66 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.43 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.153 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo . . . . . 0 N--CA 1.465 -0.201 0 CA-C-O 120.819 0.258 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.19 -41.8 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.733 HD22 ' H ' ' A' ' 126' ' ' ALA . 4.6 t30 -112.06 93.3 4.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -64.55 -27.4 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.783 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.422 ' HB3' HD21 ' A' ' 123' ' ' ASN . 20.7 tp60 -59.61 -48.2 82.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.245 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.733 ' H ' HD22 ' A' ' 123' ' ' ASN . . . -72.92 -46.99 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.27 64.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.263 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.96 -50.57 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.33 -27.01 61.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -61.66 -34.7 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -104.01 -11.49 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.69 -73.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -121.49 106.17 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.4 -27.47 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.794 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -29.72 67.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -81.42 -28.94 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -78.9 -45.64 20.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.404 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.18 -40.11 76.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.273 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.43 -32.37 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.66 -30.56 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 47' ' ' PRO . 87.3 t -72.83 -54.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.507 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.0 m -62.65 -30.38 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.06 -53.55 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.574 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.515 HG21 ' H ' ' A' ' 77' ' ' PHE . 45.3 pt -64.19 -35.46 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.621 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.59 -38.93 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -36.16 72.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.41 -40.16 95.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.433 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.4 t -105.38 16.6 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.127 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 4.3 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.862 -179.697 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.588 0.232 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.57 -31.48 60.09 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.75 2.3 . . . . 0.0 112.544 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . . . -71.64 -43.87 65.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.4 -30.04 70.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 41.7 mmt180 -70.57 -35.96 73.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -71.0 -30.76 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.15 -43.54 98.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.358 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 7' ' ' ARG . 70.4 mtm -57.92 -31.9 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.719 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HD2' ' HE3' ' A' ' 14' ' ' LYS . 20.0 mmm180 -72.57 -33.26 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.2 -35.59 78.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -60.59 -50.13 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.5 OUTLIER -63.6 -37.61 87.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.194 0.521 . . . . 0.0 109.978 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -63.8 -27.69 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -75.66 -51.36 12.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.631 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 14' ' ' LYS . 28.4 pt20 -61.07 -28.23 68.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.802 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.27 -22.89 35.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -165.7 81.42 1.12 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.45 151.42 15.32 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.693 2.262 . . . . 0.0 112.128 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.7 133.06 21.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.29 1.993 . . . . 0.0 112.017 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 135.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 111.261 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 97.97 -18.62 56.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -144.85 164.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.806 0.336 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -144.22 151.14 39.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.86 88.23 0.11 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.689 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.86 154.22 70.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.11 106.9 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -86.26 -83.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -105.42 -21.39 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -76.19 145.63 39.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -63.31 -172.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.48 -28.65 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.23 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.514 ' HG3' ' H ' ' A' ' 35' ' ' GLN . 6.2 ptt? -62.15 -62.95 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' H ' ' HG3' ' A' ' 34' ' ' MET . 6.4 mp0 -95.05 143.03 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -123.28 147.43 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.626 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -100.43 114.4 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.89 149.18 51.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.318 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.3 t -133.47 132.48 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -117.58 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -100.61 140.71 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.24 142.35 42.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.34 160.56 30.71 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.471 2.114 . . . . 0.0 112.006 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.6 116.23 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.02 6.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 70.0 p -135.56 159.49 71.32 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.313 0.102 . . . . 0.0 110.937 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 36.2 Cg_endo -65.45 0.09 3.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.266 1.977 . . . . 0.0 112.388 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -103.35 -13.85 16.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -28.2 64.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.923 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.09 -23.34 28.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.1 172.57 28.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.753 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -137.01 116.41 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -101.05 159.91 14.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -139.72 150.72 45.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.625 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD23 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -154.74 159.48 40.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.187 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -116.9 149.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -122.92 110.22 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.742 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.82 123.87 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.17 152.85 20.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.5 p -115.39 149.05 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 12.2 pt-20 -83.08 10.2 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.35 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -142.84 154.52 62.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 4.4 2.63 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.392 2.061 . . . . 0.0 112.511 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -131.76 1.17 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.5 tmtt? -65.25 136.67 96.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 85.8 Cg_exo -46.06 119.04 2.69 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.455 2.103 . . . . 0.0 112.608 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.56 -177.27 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.431 2.088 . . . . 0.0 112.7 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -131.13 114.95 15.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 109' ' ' ILE . 67.3 t -134.01 139.91 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.406 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -171.31 138.28 1.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.32 125.94 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.82 -31.16 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.575 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -94.73 156.04 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.694 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.83 126.29 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.17 164.33 30.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.17 126.52 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -138.36 155.38 73.99 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.53 -16.57 36.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.441 2.094 . . . . 0.0 112.177 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -145.85 119.03 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -154.41 152.04 10.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -95.07 178.64 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.807 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.96 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.17 -15.06 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.45 64.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -60.98 156.4 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.612 0.244 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 HG12 ' A' ' 70' ' ' VAL . 4.4 mp -82.48 134.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.2 t -81.98 94.53 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 158.12 44.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 59.6 mt -64.99 -38.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.01 -2.88 11.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -100.89 -162.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.774 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.14 -1.2 22.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -78.77 -7.43 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 37.8 t-105 -61.28 137.18 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -116.44 130.51 24.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.1 -9.36 21.45 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.1 m -72.82 -42.41 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.234 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -66.2 173.0 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -124.63 -171.57 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.357 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.76 -22.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.443 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -67.71 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.034 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -55.01 -52.43 63.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 tp -59.46 -42.12 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.01 -47.65 84.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.742 0.306 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.1 p -70.2 -27.25 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.408 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -67.19 -45.7 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.136 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.48 HD11 HG11 ' A' ' 70' ' ' VAL . 56.5 mt -72.98 -36.26 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.42 HE22 ' HA3' ' A' ' 23' ' ' GLY . 57.1 tt0 -61.04 -43.95 98.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -67.81 -28.84 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.527 ' O ' HD13 ' A' ' 112' ' ' LEU . 1.4 tm? -60.24 -31.91 70.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.026 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.97 -46.28 68.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.787 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.437 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 23.4 t70 -63.37 -68.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.072 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.437 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 43.0 mt-10 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.823 0.26 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.08 -40.72 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.14 96.8 5.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -26.67 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.26 -48.5 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.13 -54.03 44.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.77 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.878 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.04 -40.85 82.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.23 -26.82 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.08 -36.65 80.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.17 -18.83 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.326 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.14 -78.68 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -115.95 94.32 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.49 -24.2 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.26 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.93 -28.34 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -76.31 -44.48 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.97 -40.54 98.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.286 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -64.81 -31.63 72.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -69.78 -37.32 76.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -62.62 -30.36 71.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.36 -56.28 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.468 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.0 pt -61.26 -33.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.433 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.431 HG13 ' HA3' ' A' ' 51' ' ' GLY . 52.7 t -74.25 -38.0 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.06 -39.18 83.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.134 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.96 -32.5 72.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.4 t -104.64 16.4 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.833 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -80.9 -30.85 1.57 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.427 2.085 . . . . 0.0 112.119 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.65 -33.68 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG3' HG21 ' A' ' 33' ' ' ILE . 72.3 ttt180 -70.4 -43.41 70.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.731 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -58.53 -44.64 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.218 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 4.2 mmp_? -59.36 -40.47 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.38 -36.77 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 59.3 mtt -58.54 -34.54 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -74.94 -28.84 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.33 -39.99 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.98 -45.94 79.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -54.4 -38.41 66.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.021 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -79.1 -25.37 43.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -70.35 -46.71 63.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.49 -34.57 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.404 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.43 -34.1 48.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -150.23 81.6 6.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HA ' HD13 ' A' ' 16' ' ' LEU . 47.0 Cg_endo -68.62 156.13 66.56 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.284 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB2' HG23 ' A' ' 24' ' ' VAL . 27.1 Cg_exo -61.8 154.18 62.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.507 2.138 . . . . 0.0 112.179 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.71 121.24 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.98 -36.8 3.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.127 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.55 HG23 ' HB2' ' A' ' 21' ' ' PRO . 19.6 m -121.51 145.62 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.804 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m -132.06 133.56 44.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.03 124.2 2.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.91 151.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.434 0.159 . . . . 0.0 111.006 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.6 124.44 10.74 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.407 2.071 . . . . 0.0 112.12 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.7 p -65.42 -70.34 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -173.45 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -65.98 99.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 56.12 -167.97 0.1 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 6' ' ' ARG . 20.2 tt -114.2 -7.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -80.81 -40.13 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.89 111.72 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -117.79 134.85 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -100.57 117.02 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.27 150.25 42.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -117.39 112.57 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -104.66 134.73 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -109.37 141.61 41.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 143.56 48.64 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.413 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HG2' HG21 ' A' ' 46' ' ' THR . 37.9 Cg_endo -66.07 178.02 2.7 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.235 1.957 . . . . 0.0 112.216 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.83 132.1 34.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.45 24.19 26.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.268 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' HG2' ' A' ' 43' ' ' PRO . 41.1 p -131.27 157.43 78.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.407 0.146 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 49.4 Cg_endo -68.41 5.39 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.315 2.01 . . . . 0.0 112.455 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -111.6 -10.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.98 -26.59 60.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.474 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.02 -44.48 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.539 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.96 178.24 45.03 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.135 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.4 p -131.67 162.31 30.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 110.733 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -140.65 153.97 46.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.32 127.77 40.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -132.15 164.31 26.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.89 138.61 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -111.71 109.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.24 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.36 149.56 44.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.2 m -95.96 133.86 39.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.08 -5.63 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.09 151.3 48.19 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 59.0 Cg_endo -71.51 0.77 6.39 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.405 2.07 . . . . 0.0 112.246 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -99.13 -32.7 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -56.63 153.12 22.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.26 124.33 10.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.63 2.22 . . . . 0.0 112.423 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.79 169.81 21.02 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.429 2.086 . . . . 0.0 112.203 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.0 m -117.46 112.06 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.14 137.91 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -156.4 147.65 22.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -68.63 144.02 54.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.09 -43.0 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.5 t -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.81 161.91 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -150.58 112.37 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.703 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.18 158.13 64.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.06 -21.04 48.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.541 2.161 . . . . 0.0 112.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -145.98 118.6 8.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.414 HG12 HD22 ' A' ' 123' ' ' ASN . 8.2 p -154.62 152.72 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 158.1 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.37 -19.83 65.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.307 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.73 -1.57 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.86 -8.43 73.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -58.64 150.22 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.794 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.2 mt -84.68 130.93 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.4 t -88.13 100.39 12.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -126.56 145.4 50.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' H ' HD13 ' A' ' 89' ' ' LEU . 11.5 m-20 -72.28 -21.28 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.9 tt -69.86 -27.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.27 -14.54 59.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.4 -159.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -66.26 -7.08 16.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -75.36 -14.13 60.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -60.6 146.58 44.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.439 ' HB3' ' HD1' ' A' ' 100' ' ' TYR . 24.0 t -142.84 146.64 38.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.629 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.33 -9.04 13.93 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.409 2.073 . . . . 0.0 112.077 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -77.91 -50.75 11.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.306 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HD1' ' HB3' ' A' ' 97' ' ' SER . 53.3 m-85 -55.06 141.27 35.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -114.29 -172.09 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.65 -28.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.272 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 21' ' ' PRO . 47.7 t -68.66 -33.8 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.9 m -72.96 -51.8 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -31.92 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.4 -41.91 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 111.184 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.6 p -73.77 -27.2 61.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.28 -39.99 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -65.82 -34.51 78.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 m -71.13 -29.23 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.644 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.47 -27.62 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.596 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.48 -43.31 49.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.13 -53.75 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.858 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 -179.835 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.907 0.294 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.38 -30.63 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.414 HD22 HG12 ' A' ' 81' ' ' VAL . 45.6 t-20 -97.18 85.25 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.394 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -30.13 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.581 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.5 -33.25 75.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.69 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.01 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.416 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.33 -44.64 82.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.11 -32.93 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.326 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.81 -28.18 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.629 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -99.04 -35.79 9.92 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.04 -81.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -104.48 99.58 9.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.55 -24.54 63.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -62.79 -30.82 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -78.11 -27.72 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -76.51 -45.48 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 141' ' ' VAL . 11.5 pt-20 -62.37 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -67.77 -32.12 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -75.99 -52.9 9.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.41 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 138' ' ' GLU . 9.0 p -57.31 -35.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -70.65 -33.73 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -56.28 9.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.2 pt -57.2 -36.05 50.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.75 -40.71 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 43.3 mt-10 -67.88 -36.08 79.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.08 -36.75 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.006 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.2 t -104.09 12.98 33.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . 0.524 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -81.09 -31.47 1.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.522 2.148 . . . . 0.0 111.957 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.73 -33.83 75.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' H ' ' CG2' ' A' ' 3' ' ' THR . 51.6 ttp180 -64.56 -52.92 55.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -61.06 -31.07 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -62.42 -47.72 82.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.76 -30.23 67.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.8 mtt -70.59 -29.73 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.24 -30.88 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.027 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.13 -33.87 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -76.93 -46.09 25.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -53.47 -40.75 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.588 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.45 -26.24 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.313 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HG ' ' HD3' ' A' ' 21' ' ' PRO . 7.7 tt -73.47 -31.37 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.753 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.41 -42.39 79.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.58 -21.13 60.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.138 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -156.57 86.57 2.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.22 147.36 72.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 0.0 112.16 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HG ' ' A' ' 16' ' ' LEU . 23.7 Cg_exo -63.95 153.73 74.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.346 2.03 . . . . 0.0 112.024 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.72 124.24 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 91.51 -31.01 6.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.757 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG13 ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -132.67 147.83 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 111.348 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m -137.36 133.28 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.79 124.49 3.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.632 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.2 17.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.369 0.128 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.34 99.86 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.285 1.99 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -108.63 136.58 47.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 62.86 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.16 146.15 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.859 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -59.27 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.066 0.46 . . . . 0.0 111.454 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.76 -19.46 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.56 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mtp -57.87 -66.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -93.06 135.52 34.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.011 0.434 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 m0 -113.9 133.23 55.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -100.63 114.81 28.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.46 150.47 43.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -122.62 122.13 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.423 HG23 HG12 ' A' ' 24' ' ' VAL . 83.5 mt -109.27 133.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.47 132.91 51.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 147.78 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.548 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.2 Cg_endo -69.63 -171.73 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.93 162.74 15.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 111.274 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.3 30.75 64.92 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.722 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.9 p -135.81 153.27 77.11 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.441 0.163 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 -2.56 8.89 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -101.4 -10.03 20.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.17 -29.59 67.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.106 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -85.33 -28.0 25.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.43 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -100.64 174.66 25.96 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.87 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -134.35 149.4 50.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -130.2 123.2 29.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.8 mppt? -98.46 147.58 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.642 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.54 160.16 43.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.1 p -121.26 138.56 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.368 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -107.09 109.79 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.96 125.48 35.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.66 147.12 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -117.07 123.78 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.669 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.38 88.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -134.93 -79.35 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -144.76 157.67 54.54 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.21 4.51 2.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.397 2.065 . . . . 0.0 112.425 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -127.13 -3.71 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.62 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.9 tptp -65.29 129.76 94.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -60.1 113.3 1.6 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.457 2.104 . . . . 0.0 112.389 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.01 179.57 2.23 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.586 2.19 . . . . 0.0 112.403 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -130.04 118.53 21.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.58 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.431 HG23 HG13 ' A' ' 57' ' ' ILE . 13.3 p -122.08 147.41 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.502 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -161.14 147.04 14.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -70.49 151.61 44.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.65 -39.56 15.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -92.66 163.99 13.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -72.33 117.64 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.3 162.85 18.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -139.49 109.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.735 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -127.75 158.76 69.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.74 -17.51 36.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.668 2.246 . . . . 0.0 112.777 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -144.97 119.99 10.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.251 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.53 151.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -86.95 171.46 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 3.38 47.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.723 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.71 4.24 89.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.415 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -64.86 169.6 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.351 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -100.19 143.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -90.39 104.87 17.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.54 141.86 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.473 ' H ' HD13 ' A' ' 89' ' ' LEU . 16.2 m-20 -75.31 -12.08 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.274 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.1 tt -72.2 -33.25 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.796 0.332 . . . . 0.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.78 -18.4 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -73.08 -162.54 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -68.15 -4.49 13.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -77.33 -0.68 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -78.41 144.17 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.5 m -133.87 145.89 57.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.57 -6.17 17.85 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 112.776 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 t -79.23 -26.15 42.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.602 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -78.89 174.02 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.11 -176.71 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.91 -23.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -65.83 -32.43 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.1 t -65.97 -51.26 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.78 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.23 -44.24 97.58 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.5 p -74.5 -29.32 61.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.1 m -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.954 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.81 -34.89 70.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.524 HE22 ' HA3' ' A' ' 23' ' ' GLY . 26.4 tt0 -61.22 -33.52 73.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -69.78 -29.31 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.42 -33.65 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.477 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -64.87 -42.84 94.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.98 -52.83 62.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.856 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.802 0.251 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.82 -30.48 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -121.86 102.12 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.5 p -65.18 -28.7 69.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -71.12 -53.39 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.26 71.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.23 -50.03 73.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.026 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.42 -27.22 67.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -70.48 -28.63 65.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -103.88 -11.3 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.326 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -102.39 -83.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.548 HD22 ' N ' ' A' ' 133' ' ' ASN . 0.8 OUTLIER -104.22 100.79 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.69 -29.6 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -63.49 -29.54 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.6 -30.49 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -72.96 -44.71 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.2 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.79 -41.14 97.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -63.36 -37.14 86.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -64.63 -31.87 73.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.406 . . . . 0.0 110.385 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.3 -42.73 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.769 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.4 m -66.47 -30.34 70.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.58 -55.89 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.481 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.61 -32.04 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.865 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.3 t -76.53 -39.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -67.43 -38.95 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -66.8 -25.28 66.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.5 m -94.06 1.52 56.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . 0.475 ' HE1' ' HA2' ' A' ' 51' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.562 0.22 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.69 -32.03 92.69 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.09 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.61 -31.72 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -77.46 -34.28 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.115 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.43 -34.07 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -69.72 -49.23 55.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -65.23 -28.38 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.86 -52.82 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.04 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.707 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.04 -45.05 91.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -79.03 -25.9 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.21 -36.12 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.82 -36.43 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.197 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.26 -36.9 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -164.2 85.18 1.21 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.87 153.83 58.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.33 2.02 . . . . 0.0 112.202 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.48 147.05 80.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.148 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.98 140.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 -2.89 79.29 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.881 -0.675 . . . . 0.0 112.385 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 106' ' ' LEU . 7.8 p -160.6 141.88 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -129.14 147.68 51.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.167 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.69 93.6 0.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.325 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.72 154.5 51.98 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.558 0.218 . . . . 0.0 111.259 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 124.3 8.14 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.177 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -88.24 -81.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.0 -30.55 5.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.758 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -57.42 146.26 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -51.34 164.97 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -53.22 -28.88 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.499 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.0 ptp -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -115.85 124.94 51.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.415 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -113.81 157.46 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.9 111.5 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.697 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -126.73 149.34 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.47 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 54' ' ' LYS . 45.9 t -132.04 125.05 54.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.678 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.43 135.69 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -111.3 128.36 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -53.72 145.87 23.23 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.751 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.54 165.44 32.48 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.359 2.039 . . . . 0.0 112.028 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.24 117.74 14.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 28.6 3.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -140.54 158.51 65.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.392 0.139 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.27 -4.67 12.17 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.42 2.08 . . . . 0.0 112.147 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -105.3 -6.49 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.9 -33.47 64.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.15 -38.83 18.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.12 172.03 53.88 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.996 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -132.11 148.88 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.703 0.287 . . . . 0.0 110.79 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -136.13 148.53 48.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.895 0.379 . . . . 0.0 111.252 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' HG22 ' A' ' 39' ' ' VAL . 66.8 mttm -126.71 142.46 51.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.0 164.29 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.27 141.67 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 55' ' ' LEU . 4.0 mp -124.84 109.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.94 127.08 52.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -104.02 148.31 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.3 t -97.27 152.31 19.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.7 -3.44 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 89.2 m-85 -147.83 146.0 22.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 63' ' ' TYR . 27.5 Cg_exo -62.44 -12.79 29.37 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.417 2.078 . . . . 0.0 112.272 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -89.44 -22.68 22.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 14.7 mmmm -58.64 152.49 46.21 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.937 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 43.4 Cg_endo -67.98 121.08 8.08 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.367 2.045 . . . . 0.0 112.036 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.72 -174.57 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.367 2.045 . . . . 0.0 112.577 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.9 m -131.54 112.74 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.263 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 109' ' ' ILE . 99.8 t -128.44 137.94 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 111.439 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -167.19 128.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.11 126.41 27.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.28 -38.28 83.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.9 m -92.28 177.92 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -81.97 151.99 26.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.652 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -158.9 164.01 36.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.109 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.497 ' HB3' HD13 ' A' ' 144' ' ' ILE . 86.7 t80 -136.06 108.0 7.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.478 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -123.97 158.66 59.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.3 -18.03 35.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.581 2.187 . . . . 0.0 112.816 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -151.62 119.11 6.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.5 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -154.45 144.1 13.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.642 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.13 166.04 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.294 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.77 81.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.355 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.63 -2.58 36.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.31 -6.01 78.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 149.58 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.81 144.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.29 112.95 23.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -120.1 160.72 22.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.02 -16.56 22.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.123 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.39 -34.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.17 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.88 -10.21 8.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -77.29 -164.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.793 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -63.11 -12.76 29.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -75.11 -3.34 32.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -70.74 147.08 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.123 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 66.3 m -144.01 144.12 25.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.512 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 24.3 Cg_exo -63.14 -7.69 12.46 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.454 2.103 . . . . 0.0 112.377 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.9 m -76.48 -43.57 39.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -55.74 135.5 51.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.071 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.98 -174.21 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 106' ' ' LEU . 14.1 p -60.89 -22.17 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.056 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.748 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.9 t -60.65 -52.08 66.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 109' ' ' ILE . 2.9 tp -60.88 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.662 0.268 . . . . 0.0 111.506 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 38' ' ' ALA . 4.2 mm? -63.45 -43.97 95.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.741 0.305 . . . . 0.0 111.22 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.1 p -74.46 -27.82 60.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.57 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.0 m -68.55 -48.28 64.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 105' ' ' ILE . 77.1 mt -62.94 -39.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.759 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.61 -31.45 72.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.2 m -71.54 -29.34 64.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.809 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.9 -32.19 65.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.546 HD12 ' HA2' ' A' ' 42' ' ' GLY . 2.5 mt -72.0 -43.28 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.244 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.377 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.719 0.216 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.78 -25.38 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -115.74 99.42 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.684 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m -64.39 -35.64 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -66.8 -49.16 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.4 -49.36 67.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.37 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.596 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -56.7 -42.96 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.443 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -27.21 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.5 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -69.42 -32.91 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.566 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.63 -7.8 30.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.462 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.46 -80.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -109.44 105.94 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.321 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -73.3 -29.56 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -65.49 -30.13 70.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.27 -35.58 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.47 -39.85 77.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.009 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.17 -34.92 71.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.93 -31.06 61.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -75.68 -43.85 45.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 145' ' ' VAL . 9.7 p -63.38 -35.11 71.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.042 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -30.34 66.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.745 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.71 -51.45 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 77' ' ' PHE . 43.6 pt -59.77 -31.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 141' ' ' VAL . 53.7 t -77.05 -39.38 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.02 -40.62 96.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.13 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -103.87 13.98 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.814 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.604 0.24 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.13 -26.82 57.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.542 2.162 . . . . 0.0 112.142 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.2 -43.62 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HE ' HG21 ' A' ' 33' ' ' ILE . 79.0 ttt180 -72.3 -27.61 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.576 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.52 -41.87 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -65.56 -38.35 89.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.1 mt -55.1 -31.31 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.9 mtp -66.63 -52.91 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -58.49 -29.86 66.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -73.23 -32.53 64.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.214 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.05 -56.79 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.252 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 4.7 mmtt -58.99 -33.09 70.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.008 0.433 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -63.08 -36.04 82.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -75.31 -33.39 61.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.002 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.13 -16.24 59.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -83.96 -42.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -151.13 85.32 5.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.35 145.34 88.13 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.501 2.134 . . . . 0.0 112.234 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 24' ' ' VAL . 32.3 Cg_exo -58.46 141.82 97.48 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.668 2.245 . . . . 0.0 112.404 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.3 t -82.81 119.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.804 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.48 -24.34 31.25 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.409 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 21' ' ' PRO . 29.7 m -142.22 146.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 m -135.14 135.02 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.57 103.54 0.34 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.03 151.27 29.36 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 132.36 22.94 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.429 2.086 . . . . 0.0 112.266 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.7 p -94.56 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -133.24 -35.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -57.63 146.56 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.008 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -48.68 161.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.217 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.563 HG21 ' HE ' ' A' ' 6' ' ' ARG . 20.3 tt -53.3 -24.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 0.0 110.954 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.519 HE21 HG21 ' A' ' 56' ' ' VAL . 39.5 tt0 -114.47 132.04 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.3 m0 -115.59 179.74 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -135.93 109.46 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.11 149.2 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 111.606 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.61 128.13 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.558 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.407 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.5 mt -112.18 127.24 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.421 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -95.91 133.93 39.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.17 138.86 44.81 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.605 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.93 169.77 15.63 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.447 2.098 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.01 140.15 36.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.68 18.25 56.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.599 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -131.49 154.41 81.87 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.19 -5.63 14.2 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.456 2.104 . . . . 0.0 112.206 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.93 -5.06 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.52 -32.75 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.376 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.53 -45.07 12.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.49 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.71 119.79 5.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.696 . . . . 0.0 113.085 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -85.98 157.29 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -127.02 143.95 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -111.99 143.62 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -149.92 157.03 42.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG21 HE21 ' A' ' 35' ' ' GLN . 5.8 p -117.05 140.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.497 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.96 109.79 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -87.84 134.33 33.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.9 162.34 17.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.6 p -132.43 154.58 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.81 14.75 6.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.18 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -142.91 152.94 60.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -17.29 59.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.562 2.175 . . . . 0.0 112.27 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.67 -18.31 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.08 123.21 46.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.53 117.17 3.66 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.466 2.111 . . . . 0.0 112.161 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.53 -174.23 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.513 2.142 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -129.58 136.13 49.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 HG13 ' A' ' 57' ' ' ILE . 13.9 p -142.82 143.0 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.345 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -159.52 155.59 26.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.226 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -80.46 139.51 36.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.984 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.9 -26.05 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.141 0.496 . . . . 0.0 110.151 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -98.94 -169.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.734 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -92.85 133.93 35.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.625 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.55 153.66 41.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -131.8 113.03 13.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 78.3 m80 -129.54 158.6 72.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 26.9 Cg_endo -62.3 -9.02 13.81 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.576 2.184 . . . . 0.0 112.619 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.497 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 22.4 p-10 -151.66 119.29 6.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 111.41 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.15 152.09 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.757 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -91.39 169.37 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.68 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.99 -10.99 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.94 62.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.9 m -74.21 169.34 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.2 mp -106.27 146.26 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.9 t -88.5 103.24 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 91' ' ' ILE . 10.6 mp -113.32 121.66 45.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -64.59 -22.83 67.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 89' ' ' LEU . 14.6 tt -73.26 -37.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -12.95 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.202 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -71.45 -161.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -66.66 -2.17 4.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.487 ' N ' HD22 ' A' ' 94' ' ' ASN . 99.2 mtt180 -87.27 -4.39 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -66.72 146.22 54.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -139.66 148.21 54.94 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.721 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.52 -2.08 11.24 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.389 2.06 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.4 p -78.01 -31.67 50.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -73.4 -175.87 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.63 -178.51 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.1 p -63.61 -22.35 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -68.32 -32.11 72.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.5 m -67.76 -51.36 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.496 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -59.48 -32.9 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.968 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -44.92 78.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.7 p -70.31 -27.38 64.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.4 t -61.74 -44.08 97.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.956 0.408 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.6 mt -71.02 -34.99 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.19 -44.15 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -65.48 -29.23 69.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.72 -26.25 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.51 -42.75 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 -179.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.813 0.255 . . . . 0.0 112.205 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.88 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.497 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 36.7 t-20 -90.87 102.73 15.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.2 p -70.82 -28.02 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.482 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.48 -47.64 63.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -58.11 -45.87 86.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.38 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.74 74.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.035 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.445 ' HA ' HE21 ' A' ' 131' ' ' GLN . 35.3 tt0 -68.22 -33.49 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.93 -27.64 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -65.75 -33.71 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.36 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.445 HE21 ' HA ' ' A' ' 128' ' ' GLN . 27.2 pt20 -94.78 -23.93 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.505 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -90.16 -84.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.178 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 133' ' ' ASN . 0.9 OUTLIER -105.81 96.36 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -72.02 -21.39 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -70.71 -30.88 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.16 -27.38 53.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -75.88 -50.75 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.309 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.76 -40.94 80.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.23 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.74 -31.23 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -67.94 -36.16 79.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.86 -42.09 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 t -67.69 -30.3 69.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.53 -57.18 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.45 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.4 pt -57.58 -33.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.63 -37.43 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.972 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -37.38 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -64.4 -32.13 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.6 t -105.34 10.68 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.4 t90 . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.632 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.568 0.223 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.04 -36.05 84.15 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.444 2.096 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.4 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -67.82 -39.36 83.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.88 -32.13 73.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -62.84 -47.58 82.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.15 -31.03 51.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.63 -44.97 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -74.9 -28.21 60.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.23 -46.78 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.69 -42.84 85.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -55.04 -34.24 63.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.289 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.38 -25.82 42.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.02 -47.0 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.52 -27.34 62.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.65 -44.6 73.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.775 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -160.0 87.43 1.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 157.72 59.25 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.415 2.077 . . . . 0.0 112.04 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 24' ' ' VAL . 36.6 Cg_exo -60.5 152.57 67.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.384 2.056 . . . . 0.0 111.942 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.11 138.63 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.68 -2.78 66.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.641 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 21' ' ' PRO . 7.4 p -161.56 142.84 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.0 t -137.41 148.38 46.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -150.17 99.51 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.581 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.78 156.09 38.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 122.886 -0.184 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.2 122.29 8.25 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.292 1.995 . . . . 0.0 112.314 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 t -70.9 -77.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.35 -29.89 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -62.65 147.22 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.585 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -48.84 168.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.285 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -55.62 -16.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.622 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.55 -60.37 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.037 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.639 HE22 ' HB2' ' A' ' 58' ' ' GLU . 6.4 tp60 -99.07 137.09 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.52 164.94 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -127.32 107.97 10.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.652 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.87 148.22 41.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.448 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -126.7 113.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.4 mt -104.85 133.88 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -105.91 134.65 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.73 144.5 34.28 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.576 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.24 -174.69 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -87.14 161.18 18.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.73 28.04 69.34 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.597 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.4 p -134.54 156.02 79.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.445 0.164 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 1.99 3.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.339 2.026 . . . . 0.0 112.013 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.82 -5.43 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.88 -34.32 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.77 -46.33 11.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 163.87 54.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.687 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -131.6 140.65 49.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.91 163.89 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -140.61 143.0 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.744 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.48 162.84 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.14 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.95 145.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.5 mp -125.79 111.22 26.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.639 ' HB2' HE22 ' A' ' 35' ' ' GLN . 42.8 tt0 -98.61 136.61 38.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.752 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -112.74 142.29 45.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -104.88 152.14 22.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.757 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.38 6.05 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.71 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -144.83 148.83 40.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.74 -25.21 78.47 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.427 2.085 . . . . 0.0 112.035 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.52 -18.76 23.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.4 tmtt? -52.08 132.14 40.64 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 10.3 Cg_endo -51.76 110.99 0.49 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.384 2.056 . . . . 0.0 111.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.39 -169.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.452 2.102 . . . . 0.0 112.639 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -131.23 118.49 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.29 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 109' ' ' ILE . 92.3 t -134.76 138.31 49.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -165.56 145.01 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.84 132.25 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.32 -38.76 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -88.66 169.65 11.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.65 125.71 27.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 163.7 29.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -143.17 110.6 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.629 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -127.66 155.89 76.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.02 -25.84 72.38 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.317 2.011 . . . . 0.0 112.161 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.4 m120 -128.9 118.04 22.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.805 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -152.69 135.27 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -85.94 174.48 9.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.059 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.53 1.64 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.68 4.64 81.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.94 164.48 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.683 0.278 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.85 137.61 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.43 105.06 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -127.41 140.39 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.459 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.51 -20.93 66.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.683 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.58 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.4 tt -67.34 -26.6 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.2 -9.11 54.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.195 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -76.45 -164.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.8 -7.98 32.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -72.81 -10.76 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.08 140.82 58.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 m -135.75 142.28 40.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.668 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.13 -2.36 6.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.539 2.159 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 65.2 m -76.92 -41.02 45.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -61.37 172.36 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -133.07 -171.46 2.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.46 -22.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 m -69.22 -32.09 71.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -62.11 -52.4 64.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.934 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.42 HG12 HG21 ' A' ' 70' ' ' VAL . 2.7 tp -59.17 -37.17 66.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.76 0.314 . . . . 0.0 111.359 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 72.8 mt -61.29 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.122 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.9 p -59.97 -27.9 67.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.495 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -48.18 74.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.591 HD11 HG11 ' A' ' 70' ' ' VAL . 57.5 mt -69.85 -39.24 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.221 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.73 -44.26 90.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -72.48 -29.71 63.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -60.21 -35.24 74.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 113' ' ' LEU . 6.5 mt -56.76 -36.9 70.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.32 -55.22 37.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.057 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 51.0 Cg_exo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.802 0.251 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.43 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -81.5 -43.44 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -105.37 110.85 23.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.457 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.1 m -70.79 -27.37 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.608 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -69.42 -53.46 19.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.424 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.31 42.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.581 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.04 56.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.594 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.82 -36.21 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 0.0 111.349 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.8 -27.26 69.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.24 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -67.82 -32.33 72.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.642 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -98.4 -24.7 15.08 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.72 -80.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.25 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -106.35 92.58 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.32 -36.64 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -34.45 77.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -70.15 -27.53 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -75.99 -42.18 48.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.14 -45.66 84.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.158 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -58.28 -37.89 75.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 145' ' ' VAL . 92.0 t -60.7 -44.47 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.4 m -62.47 -30.34 71.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.72 -56.97 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.577 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.6 pt -59.18 -35.33 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.469 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 55.1 t -70.42 -40.51 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -62.86 -42.16 99.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.295 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.48 -36.75 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.2 p -100.39 13.5 34.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.279 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 4.7 t90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.751 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 10.0 Cg_endo -81.04 -34.77 0.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.44 2.094 . . . . 0.0 112.095 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.05 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -64.36 -52.88 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.151 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -58.31 -34.9 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.547 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' PRO . 29.5 mmt180 -57.46 -48.23 79.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.314 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.48 -39.16 72.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.12 -31.47 72.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.457 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -75.01 -28.39 60.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -73.87 -37.04 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.59 -51.94 24.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -59.5 -31.63 69.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.673 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -79.76 -25.94 40.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.06 -46.83 88.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 14' ' ' LYS . 26.1 pt20 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.44 -40.74 66.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 110.539 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -158.94 82.08 2.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.464 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.61 150.36 74.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.509 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 37.1 Cg_endo -66.88 141.69 59.79 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.385 2.057 . . . . 0.0 112.113 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -89.19 123.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.309 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.29 -5.13 55.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' PRO . 8.2 p -159.17 148.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -137.3 145.59 43.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.973 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -156.16 112.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.346 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.26 156.64 54.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.445 0.164 . . . . 0.0 111.172 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -68.94 130.1 19.72 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.486 2.124 . . . . 0.0 112.174 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -59.6 -72.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -172.24 -30.06 0.01 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -84.1 110.13 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.2 m120 56.6 -177.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.654 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -113.21 -1.92 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -77.04 -50.1 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -83.73 121.5 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.1 m0 -122.31 135.87 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -100.09 122.68 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.12 150.32 51.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.45 122.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.23 130.33 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.56 149.44 24.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.72 142.8 37.01 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.784 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD3' HD12 ' A' ' 113' ' ' LEU . 40.2 Cg_endo -68.01 4.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 66.49 113.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.81 -3.73 17.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.048 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -110.97 161.34 25.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.61 ' HB2' HG11 ' A' ' 141' ' ' VAL . 18.2 Cg_exo -66.62 2.55 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.371 2.047 . . . . 0.0 112.247 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -109.93 -6.92 15.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.27 -26.03 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.59 1.87 40.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.299 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.66 145.1 16.36 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.667 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.0 p -100.95 157.49 16.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.676 0.274 . . . . 0.0 110.924 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.22 125.45 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -105.33 115.45 30.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -120.56 164.31 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.062 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.9 p -124.44 139.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -107.56 109.72 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.562 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.78 155.97 16.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.11 162.63 32.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.698 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -136.94 128.6 28.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.43 90.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -133.15 -76.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -143.69 154.66 59.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 41.2 Cg_endo -67.47 -3.82 10.81 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.181 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -122.14 -4.78 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 48.4 tptt -60.43 130.43 89.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 36.2 Cg_endo -64.89 121.75 9.35 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.352 2.035 . . . . 0.0 112.188 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.27 -172.69 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.27 1.98 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -130.76 135.01 47.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 87' ' ' ILE . 15.0 p -139.93 146.91 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.402 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -159.02 160.91 36.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' HD12 ' A' ' 55' ' ' LEU . 62.8 m-85 -84.75 126.74 33.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.66 -34.74 74.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.514 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -92.31 140.42 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.07 113.9 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 mmt -127.5 163.26 24.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.53 118.79 34.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 39.2 m80 -127.03 157.48 71.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -59.31 -19.54 51.1 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.416 2.077 . . . . 0.0 112.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.57 119.44 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -148.16 129.18 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -72.43 172.21 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -94.4 8.5 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.33 10.36 84.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -68.21 169.47 10.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 70' ' ' VAL . 4.5 mp -98.86 134.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.15 102.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.37 139.6 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.7 -23.81 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -65.63 -28.46 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.6 tp -72.91 -17.42 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -79.73 -159.24 0.2 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -65.61 -6.18 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 6.3 tpm_? -72.74 -12.76 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.435 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 64.1 t-105 -67.56 144.94 55.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 59.5 m -134.83 147.69 63.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.767 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 15.6 Cg_exo -68.54 -5.22 14.69 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.701 2.267 . . . . 0.0 112.504 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 74.9 p -79.07 -44.12 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.424 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -59.37 167.57 1.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -136.27 -171.62 2.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 105' ' ' ILE . 76.3 t -58.33 -24.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.7 m -70.26 -32.51 70.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.747 0.308 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.9 t -73.29 -47.0 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.605 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -58.93 -36.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.251 -179.485 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.485 HD11 ' HA3' ' A' ' 26' ' ' GLY . 42.2 mt -66.78 -47.92 70.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.8 p -66.4 -27.97 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.2 m -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.2 -38.93 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.95 -31.86 73.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.41 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -68.01 -28.84 67.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.73 -25.15 59.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.484 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -78.47 -42.61 29.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.492 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.02 -44.17 96.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.981 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.992 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo . . . . . 0 N--CA 1.462 -0.366 0 CA-C-O 120.788 0.245 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.64 -25.62 21.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -120.96 109.44 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.7 p -68.54 -33.3 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -70.2 -47.82 59.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.001 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 79' ' ' PRO . . . -57.04 -53.84 53.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.59 73.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -68.47 -30.05 68.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.96 -11.13 17.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.506 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -98.19 -78.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.936 0.398 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.78 103.55 12.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.46 -21.66 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.697 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -70.85 -38.49 73.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.25 -27.81 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -74.58 -50.03 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.15 -37.93 75.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 111.245 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.96 -30.32 71.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -76.01 -31.12 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 47' ' ' PRO . 66.6 t -59.09 -52.98 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.8 m -71.36 -30.21 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.63 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.797 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 145' ' ' VAL . 46.4 pt -73.99 -35.92 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' HG13 ' A' ' 144' ' ' ILE . 54.5 t -72.0 -33.64 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.561 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 35.2 mt-10 -66.54 -30.67 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.326 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -64.07 -40.59 96.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.1 p -94.4 0.19 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -79.86 -33.79 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.392 2.061 . . . . 0.0 111.914 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HA ' ' HG3' ' A' ' 64' ' ' PRO . . . -59.78 -34.2 72.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.21 -42.83 75.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.96 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 11' ' ' ARG . 30.8 mmm180 -71.62 -42.27 67.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.467 HD13 HG12 ' A' ' 33' ' ' ILE . 90.2 mt -53.15 -43.61 67.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.81 -31.55 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 8' ' ' ARG . 99.1 mtt180 -75.28 -31.85 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -74.38 -30.88 62.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.54 -51.48 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.7 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -79.66 -25.4 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.87 -43.01 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.441 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.5 -33.8 75.6 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.0 -42.04 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.16 83.56 3.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 156.43 62.72 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.61 150.6 79.83 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.405 2.07 . . . . 0.0 112.285 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.18 136.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.12 -19.66 50.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.816 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.63 157.11 12.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.435 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 t -135.91 146.94 47.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.724 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.73 87.75 0.12 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.68 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.05 153.69 67.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.547 0.213 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.91 110.32 2.35 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.389 2.06 . . . . 0.0 112.335 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 p -77.78 -62.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -136.68 -29.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 13.7 m120 -64.29 146.35 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.699 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -53.59 175.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 111.681 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 9' ' ' LEU . 20.6 tt -56.68 -18.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.523 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.5 mtt -71.18 -50.39 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 8.1 tt0 -104.24 127.57 51.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -114.74 153.64 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.12 116.9 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.382 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.12 148.91 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.012 0.434 . . . . 0.0 111.628 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 54' ' ' LYS . 9.2 p -137.95 146.93 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.9 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.2 120.46 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.48 149.44 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.96 139.88 37.11 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.611 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.7 Cg_endo -70.6 178.83 4.67 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.429 2.086 . . . . 0.0 112.096 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.29 128.48 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.67 9.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.6 p -138.31 156.6 73.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.349 0.119 . . . . 0.0 111.135 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.9 2.32 3.16 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.267 1.978 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -111.15 -3.28 15.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.712 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -57.56 -30.4 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.579 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.48 -37.83 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.32 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.27 -173.87 41.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.621 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 t -148.32 151.65 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -130.11 122.23 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 39' ' ' VAL . 94.2 mttt -94.34 155.49 16.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.291 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -152.96 163.7 39.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.05 153.0 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.654 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -126.81 123.26 62.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.3 125.04 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -103.61 151.07 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -101.63 161.61 13.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.75 6.05 36.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.01 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 96.5 m-85 -148.39 152.75 39.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 16.4 Cg_exo -67.26 -11.81 33.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.616 2.21 . . . . 0.0 112.112 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.62 -25.55 16.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.274 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -55.87 151.99 21.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.44 125.91 17.95 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.412 2.075 . . . . 0.0 112.219 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.22 -172.84 1.1 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.295 1.997 . . . . 0.0 112.354 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.3 m -131.51 113.76 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 109' ' ' ILE . 98.1 t -130.3 136.89 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.839 0.352 . . . . 0.0 111.406 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -166.46 144.34 5.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.28 146.79 48.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.0 mt -87.94 -37.44 16.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.471 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.2 m -90.4 143.91 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.716 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -56.37 125.73 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.53 164.18 30.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -137.98 115.4 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -129.49 156.13 79.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.64 -18.31 39.74 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.277 1.985 . . . . 0.0 111.974 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.1 m120 -134.9 118.3 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -153.27 121.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -66.18 176.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.959 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.45 74.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.58 7.69 32.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.58 4.18 87.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.588 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.3 m -63.26 158.3 20.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.9 137.15 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 65.0 m -80.94 104.7 11.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -134.12 143.49 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' H ' HD13 ' A' ' 89' ' ' LEU . 20.8 t70 -68.61 -22.09 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 89' ' ' LEU . 17.3 tt -69.61 -13.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.084 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.84 -25.62 61.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.25 -164.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.19 -0.24 3.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -72.24 -8.51 55.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.994 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.15 147.28 48.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.4 m -136.58 151.94 73.74 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.14 1.78 7.42 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.434 2.09 . . . . 0.0 112.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 m -86.82 -48.4 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -56.6 151.13 14.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.41 -175.67 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 105' ' ' ILE . 11.5 p -64.78 -26.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.8 m -63.36 -32.32 73.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.5 t -61.19 -30.13 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.4 OUTLIER -78.96 -27.41 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.992 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.71 -42.66 70.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.0 p -73.85 -29.89 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.773 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.2 p -62.76 -41.21 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.212 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.53 HD11 HG11 ' A' ' 70' ' ' VAL . 70.9 mt -73.24 -38.59 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.423 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.93 -32.2 71.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m -67.45 -29.18 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.67 -26.13 65.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.529 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -76.57 -42.16 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.005 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.769 -179.781 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.907 0.295 . . . . 0.0 112.635 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.46 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -112.35 -25.85 9.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.904 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -129.58 105.76 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.413 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -64.77 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.256 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.42 -52.47 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.535 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.91 41.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.613 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.67 73.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.382 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.51 -38.54 89.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.147 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.39 -26.71 68.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.289 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -64.31 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.468 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -99.73 -45.56 5.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.648 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.77 -77.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.748 0.308 . . . . 0.0 111.274 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.11 88.31 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.29 -26.78 66.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.694 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.02 -29.68 69.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.81 -31.92 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.71 -47.41 39.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.369 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.29 -40.74 87.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.386 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -64.06 -34.14 77.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -68.21 -34.22 75.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.5 -48.04 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.3 p -66.17 -30.3 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.6 -57.96 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.484 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -58.46 -31.43 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.677 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.7 t -76.03 -41.85 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.244 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.49 -34.34 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.02 -39.76 91.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -97.94 9.61 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.718 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.611 0.243 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.67 -31.72 69.38 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.733 2.289 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.47 68.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -65.16 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.011 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -71.69 -31.52 66.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -77.55 -41.26 39.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.5 -36.02 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.337 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.24 -51.72 19.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -56.68 -28.69 61.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.336 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.58 -34.52 72.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -65.33 -52.91 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -62.28 -31.86 72.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.03 0.443 . . . . 0.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -75.14 -28.38 60.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.175 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.27 -47.13 29.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.441 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -57.99 -23.81 55.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 111.419 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.29 -48.64 49.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.504 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -141.64 79.97 16.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.4 Cg_endo -65.74 148.03 86.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.549 2.166 . . . . 0.0 112.264 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.8 Cg_exo -64.49 156.06 62.73 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.525 2.15 . . . . 0.0 112.191 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.86 138.07 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 -22.61 13.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.317 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 40' ' ' ILE . 27.1 m -140.36 160.04 25.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -151.26 148.1 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.06 125.2 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.16 146.35 19.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.375 0.131 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.5 106.46 1.96 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.482 2.121 . . . . 0.0 112.471 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -77.54 -156.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.404 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.65 -19.59 4.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.3 146.48 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.013 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -52.58 168.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.455 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.12 -26.0 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.004 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.1 mtm -73.68 -0.27 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.565 0.221 . . . . 0.0 111.377 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -140.51 117.47 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -117.62 135.12 54.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -100.61 126.83 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.35 147.31 52.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.125 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.0 t -118.63 120.55 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 ' HA ' HG12 ' A' ' 24' ' ' VAL . 59.7 mt -111.44 130.93 64.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -104.33 133.82 48.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -58.79 145.74 42.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.51 -174.86 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.29 1.993 . . . . 0.0 112.229 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.92 138.65 31.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.2 63.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.656 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 p -116.68 157.05 47.02 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.33 0.109 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.74 -0.15 5.69 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.474 2.116 . . . . 0.0 112.17 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -111.05 -2.35 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.017 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.53 -31.05 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.34 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.07 -32.8 22.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.14 176.33 35.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.638 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.6 p -137.35 143.59 42.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -123.72 144.3 49.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -119.86 139.81 51.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.45 164.62 28.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 111.418 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -126.53 134.38 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -103.55 111.11 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.31 132.75 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -112.28 148.17 34.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -113.65 126.35 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.597 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.57 94.42 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -144.3 -83.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.19 153.03 48.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.4 -17.29 52.54 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.49 2.126 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.45 -14.16 19.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -58.13 132.04 84.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.65 135.55 71.11 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.353 2.035 . . . . 0.0 111.99 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -85.41 175.11 6.49 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.556 2.171 . . . . 0.0 112.641 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.5 m -128.75 130.19 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.504 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 105' ' ' ILE . 11.7 p -139.99 146.95 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.905 0.383 . . . . 0.0 111.358 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -166.86 142.02 4.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -65.49 147.68 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -85.79 -30.71 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.454 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 m -101.55 165.76 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.754 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 2.4 mmmp? -67.95 133.58 49.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -142.02 156.95 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -134.0 120.74 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -134.41 158.78 74.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.73 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.61 -19.21 36.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.402 2.068 . . . . 0.0 112.503 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -144.87 118.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.34 157.0 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -98.51 174.33 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -24.98 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.03 4.93 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 12.44 75.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.619 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -71.89 165.24 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.638 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD22 ' A' ' 112' ' ' LEU . 4.9 mp -97.22 134.57 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 49.5 t -85.32 94.46 8.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -125.85 137.81 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 11.5 m-20 -60.97 -29.91 69.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 89' ' ' LEU . 16.6 tt -66.24 -26.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.5 tp -68.3 -25.36 65.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.19 -163.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.33 -7.16 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.322 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.465 ' HD3' ' HB3' ' A' ' 90' ' ' ASP . 76.8 mtp180 -73.58 0.83 11.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -75.82 147.75 38.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.1 m -141.81 148.23 48.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.77 -1.43 10.38 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.376 2.051 . . . . 0.0 112.612 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.9 t -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.248 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -98.4 -179.91 4.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -140.21 -173.89 3.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.95 -21.94 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' PRO . 53.2 m -69.98 -31.87 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.0 m -61.1 -52.02 66.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.816 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.443 HD11 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -59.57 -36.98 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.92 -47.83 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.4 p -74.67 -27.55 60.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.436 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.22 -38.5 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' NE2' HG13 ' A' ' 24' ' ' VAL . 36.5 tt0 -59.0 -31.95 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.772 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.2 t -69.97 -29.43 66.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.48 HD22 HG23 ' A' ' 87' ' ' ILE . 26.3 tp -57.75 -31.86 66.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.425 HD12 ' HA2' ' A' ' 42' ' ' GLY . 1.9 mt -77.2 -44.81 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.12 -35.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.786 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.768 0.237 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.5 -31.11 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -114.43 99.85 7.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.538 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 t -66.71 -27.81 67.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.333 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.73 21.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.48 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.241 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.531 HE21 ' HG2' ' A' ' 132' ' ' GLU . 23.1 tp60 -67.11 -48.35 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.52 -27.75 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -62.69 -44.0 97.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.314 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -91.5 -16.6 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.531 ' HG2' HE21 ' A' ' 128' ' ' GLN . 15.3 mm-40 -92.71 -75.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.096 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.4 HD21 ' HB2' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -113.69 88.08 2.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.856 0.36 . . . . 0.0 110.5 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.4 ' HB2' HD21 ' A' ' 133' ' ' ASN . 31.2 mmm180 -64.93 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -81.65 -30.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -72.84 -46.21 54.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.92 -33.07 74.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -69.77 -35.95 75.34 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -70.87 -51.12 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.16 -35.88 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 84.0 p -71.02 -30.52 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.79 18.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 pt -59.45 -31.94 47.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.462 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.34 -41.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.97 -46.21 88.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.53 -25.74 68.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.0 m -104.66 8.5 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.458 0.171 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.07 -33.48 73.36 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.543 2.162 . . . . 0.0 112.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.49 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.26 -35.02 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.64 -34.32 77.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 28.1 mmt180 -77.0 -34.06 57.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.069 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 33' ' ' ILE . 66.9 mt -62.97 -29.67 70.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.62 -31.62 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.986 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.7 -40.76 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.39 -49.21 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -52.85 -39.05 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.616 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -79.8 -25.49 40.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.02 -44.28 66.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.434 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.18 -24.72 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.456 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.01 -41.91 27.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -143.09 80.01 13.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.597 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.99 150.8 78.1 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.532 2.154 . . . . 0.0 112.264 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 153.26 74.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.384 2.056 . . . . 0.0 111.994 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -90.57 141.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 -11.2 60.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG22 HD23 ' A' ' 106' ' ' LEU . 15.0 p -155.62 151.25 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.694 0.283 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -139.73 133.68 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.53 128.71 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.326 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 150.62 20.01 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 108.6 2.71 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.401 2.067 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -129.29 143.65 50.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 62.87 -81.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.37 145.66 42.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.38 -173.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.349 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.516 HD12 ' HE1' ' A' ' 36' ' ' TRP . 10.3 tp -56.92 -21.36 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.191 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -58.23 -54.63 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.32 144.97 33.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.103 0.478 . . . . 0.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.516 ' HE1' HD12 ' A' ' 33' ' ' ILE . 6.8 m0 -123.19 146.33 47.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.52 128.22 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.66 150.17 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.6 120.3 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -103.53 120.89 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.62 152.21 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.66 24.85 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.755 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.4 5.41 5.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.742 2.294 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 66.73 104.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.06 11.42 3.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.956 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 80.9 p -132.65 159.62 71.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 C-N-CA 122.016 0.126 . . . . 0.0 110.796 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 34.8 Cg_endo -65.43 -3.13 7.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.182 1.921 . . . . 0.0 112.396 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -97.57 -12.86 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.749 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.34 -27.54 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.19 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.34 0.29 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -144.52 177.15 23.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.632 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.8 p -126.68 152.0 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.012 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -130.91 135.07 47.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -111.81 139.44 47.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.601 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.58 164.17 29.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.06 137.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.944 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -112.36 112.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.79 150.67 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -134.36 150.07 50.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -107.05 138.08 43.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.481 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.2 4.08 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.5 -83.11 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 96.7 m-85 -142.53 155.5 63.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 66.9 Cg_endo -73.88 -0.81 9.95 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.4 -18.21 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 34.9 mmtp -60.36 146.83 83.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 113.04 3.22 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.466 2.111 . . . . 0.0 112.371 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.8 161.63 43.27 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.327 2.018 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.4 m -116.58 117.97 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.72 145.78 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -159.65 146.63 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -69.32 147.8 50.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.03 -28.45 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.5 t -98.6 157.99 15.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.11 138.48 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 154.28 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -131.11 115.53 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.301 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -132.71 156.64 79.86 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.988 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.0 -18.47 43.21 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.461 2.107 . . . . 0.0 112.314 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -138.47 118.32 13.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.837 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.518 ' H ' ' ND2' ' A' ' 123' ' ' ASN . 77.1 t -153.44 126.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -72.63 168.2 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.91 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.32 -16.2 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.21 8.39 60.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -68.54 168.64 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -97.89 137.64 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.55 109.92 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.7 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.24 146.24 36.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.526 ' H ' HD13 ' A' ' 89' ' ' LEU . 6.9 m-20 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.243 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 16.5 tt -66.6 -21.85 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.3 mt -76.51 -9.97 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.455 HE21 ' HA ' ' A' ' 90' ' ' ASP . 47.1 mt-30 -82.31 -163.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.64 -3.91 17.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -72.92 -17.99 61.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -57.14 142.44 42.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -134.01 142.88 45.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.77 -3.79 13.4 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.569 2.179 . . . . 0.0 112.328 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.4 m -75.05 -41.22 59.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -65.76 -179.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.6 -171.6 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.23 -26.22 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -66.42 -32.58 74.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.6 p -56.29 -42.6 77.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -69.97 -31.76 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 HG22 ' A' ' 24' ' ' VAL . 1.8 mp -65.63 -54.54 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.5 p -65.19 -27.57 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -61.81 -48.56 80.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.1 -34.79 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.478 ' HA ' HD21 ' A' ' 113' ' ' LEU . 61.6 tt0 -59.08 -33.46 70.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -72.24 -29.23 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.428 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.05 -56.35 20.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.563 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.9 OUTLIER -67.41 -22.19 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 0.0 111.003 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.69 -40.67 72.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.85 0.271 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.02 -6.19 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.209 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.518 ' ND2' ' H ' ' A' ' 81' ' ' VAL . 37.9 m-80 -135.66 99.82 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.3 p -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -74.86 -48.39 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.44 65.75 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.67 75.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.34 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.3 -34.87 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.97 -27.63 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -70.25 -49.19 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.441 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.29 -76.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -126.99 85.01 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -63.81 -14.09 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.77 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 10.3 tp10 -78.94 -34.8 44.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -69.41 -48.58 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 -36.8 73.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -64.4 -32.04 73.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.583 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 136' ' ' GLU . 36.9 mmt180 -74.85 -30.99 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.699 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.21 -43.61 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -71.2 -34.46 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.12 19.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.3 pt -58.72 -32.38 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.784 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.599 HG13 ' HA3' ' A' ' 51' ' ' GLY . 48.4 t -74.56 -42.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.365 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.2 -34.65 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.156 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -69.02 -30.2 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -104.17 11.56 34.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -79.85 -36.1 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.374 2.05 . . . . 0.0 111.772 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 3' ' ' THR . . . -57.59 -34.06 68.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.452 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' H ' ' CG2' ' A' ' 3' ' ' THR . 46.7 ttp180 -66.34 -45.68 79.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.591 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -59.12 -32.81 70.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.957 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.9 mt -54.68 -33.24 60.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.9 mtp -72.73 -35.96 67.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.91 -37.24 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -70.59 -30.48 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -72.07 -56.1 6.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.424 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -55.8 -31.96 63.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -80.12 -26.23 39.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -71.5 -44.57 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.421 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.53 -27.24 68.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.761 0.315 . . . . 0.0 111.355 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.57 -50.67 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -141.91 70.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.95 144.47 8.27 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.87 146.65 85.4 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.458 2.105 . . . . 0.0 112.294 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.85 118.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.332 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.84 -23.69 31.72 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.673 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.91 166.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 m -149.77 141.89 24.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.512 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -144.59 110.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.636 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.69 151.95 23.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.062 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.71 121.12 8.15 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.508 2.138 . . . . 0.0 112.219 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -97.94 -76.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -106.73 -38.21 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.676 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.04 145.78 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.71 -174.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.14 -20.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.396 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.5 mtp -59.75 -63.83 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.65 137.68 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -114.43 144.81 42.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -100.92 102.82 13.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.61 149.89 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.392 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.68 119.9 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.916 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -110.94 122.25 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -95.01 133.77 38.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.759 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.19 146.99 47.74 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.61 177.02 8.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.501 2.134 . . . . 0.0 112.095 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.97 169.73 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.99 21.33 61.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.764 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 p -135.22 157.46 76.72 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 122.933 -0.157 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.9 -2.82 9.36 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.314 2.009 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -102.1 -7.83 21.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.89 -35.05 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.441 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.96 -18.48 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.452 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -106.77 173.73 19.51 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.854 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -135.43 154.81 51.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.74 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.18 139.4 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 111.354 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -115.62 138.45 51.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.457 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.592 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.71 164.07 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.348 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.58 136.09 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.1 112.26 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.1 124.53 36.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -105.48 148.08 27.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.1 p -128.77 144.31 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.273 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 62' ' ' GLU . 2.9 pt-20 -50.92 -87.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.613 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 15.1 mm-40 44.8 -98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 94.2 m-85 -147.09 147.23 28.4 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -62.13 -11.28 21.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.599 2.2 . . . . 0.0 112.462 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -98.33 -15.81 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 41.0 mmtm -67.85 148.33 98.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.83 142.34 28.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.511 2.141 . . . . 0.0 112.486 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.1 172.35 10.84 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.607 2.205 . . . . 0.0 112.451 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -118.0 112.73 20.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -119.99 148.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.877 0.37 . . . . 0.0 111.442 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -158.54 144.31 16.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -70.79 148.36 47.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.3 mt -98.04 -44.6 6.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -82.94 156.77 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.15 124.85 20.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.58 164.18 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -142.59 108.08 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -120.61 157.62 53.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.06 -23.25 67.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.548 2.166 . . . . 0.0 112.264 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -140.97 118.96 11.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.26 144.14 13.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.63 173.59 11.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -31.98 73.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.93 -13.09 56.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.48 4.83 57.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -64.84 163.11 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -99.4 136.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -91.53 101.49 14.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -125.91 150.4 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.766 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.54 ' H ' HD13 ' A' ' 89' ' ' LEU . 10.7 m-20 -78.86 -15.88 57.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -64.74 -28.23 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -67.57 -22.63 65.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.78 -165.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -67.87 -1.29 5.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.67 -0.55 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -79.81 140.34 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -121.84 153.02 60.14 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.03 4.56 6.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.626 2.217 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.8 p -89.32 -44.82 9.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -64.07 167.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -128.12 -170.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.43 -29.66 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.74 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.8 p -60.25 -32.5 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -60.07 -47.5 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.361 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -63.05 -31.67 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.902 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.512 HD11 ' HA3' ' A' ' 26' ' ' GLY . 92.9 mt -66.96 -46.55 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.4 p -72.78 -27.35 61.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.314 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -64.78 -48.35 74.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.8 mt -65.8 -35.15 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -66.53 -29.32 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.53 -32.28 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.839 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.05 -44.94 94.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.58 -58.78 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.671 0.196 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 -51.01 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.832 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.5 103.67 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.414 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -70.52 -30.0 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.281 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -65.16 -45.91 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.304 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.4 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.54 74.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.55 -38.67 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.175 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.27 -27.38 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.93 -31.75 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -103.7 -13.61 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -95.39 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.997 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -128.75 98.72 5.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -73.3 -22.9 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.745 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -69.9 -30.53 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.94 -27.49 49.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.397 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -71.47 -47.07 57.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.828 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.12 -34.07 77.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.2 -32.83 61.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -72.15 -40.21 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.43 -33.32 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.2 t -65.61 -30.44 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.31 -54.05 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.64 -31.11 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.551 HG13 ' HA3' ' A' ' 51' ' ' GLY . 40.0 t -78.16 -39.59 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.72 -32.05 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.48 -40.88 85.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -99.11 14.51 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.533 0.206 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.48 -34.03 54.95 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.565 2.177 . . . . 0.0 112.36 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.91 81.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.94 -33.74 64.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -57.65 -40.4 79.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -65.26 -36.77 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -28.63 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.004 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.74 -44.85 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.545 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -68.15 -31.04 70.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.284 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.12 -36.0 66.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.339 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -66.2 -39.48 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -52.87 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.326 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 4.0 tpm_? -67.44 -25.37 65.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.377 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.32 -51.75 19.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.574 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.41 -28.32 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.471 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.77 -39.35 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.069 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -147.89 80.03 9.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.35 157.84 55.8 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.529 2.153 . . . . 0.0 112.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.08 152.59 70.42 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.443 2.095 . . . . 0.0 112.055 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.88 127.1 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.82 -26.82 22.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.449 HG13 ' NE2' ' A' ' 110' ' ' GLN . 30.7 m -140.16 155.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t -142.79 142.65 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -147.5 103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.535 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.0 151.51 49.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.74 112.24 3.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.413 2.075 . . . . 0.0 112.223 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -87.53 -74.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -113.69 -29.76 7.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 35' ' ' GLN . 28.5 m-80 -69.74 145.82 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -58.31 177.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -57.46 -22.62 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.51 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.98 -38.97 92.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 22.6 mt-30 -118.56 134.14 55.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.6 m0 -116.64 147.7 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.19 107.12 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.69 149.95 39.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.594 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.86 123.72 52.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.14 128.14 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -100.0 149.86 23.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.09 141.99 29.93 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.418 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.45 144.71 23.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.47 2.113 . . . . 0.0 112.21 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -57.98 128.59 37.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.82 1.97 32.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.3 p -120.83 157.72 53.99 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.379 0.133 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 Cg_endo -67.42 -1.45 6.52 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.442 2.095 . . . . 0.0 112.443 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -103.08 -10.08 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -20.2 66.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.9 -32.11 45.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.295 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.62 -171.07 16.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.81 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -135.74 154.22 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -128.61 156.12 43.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.65 143.4 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.589 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -146.15 163.18 36.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.024 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 36' ' ' TRP . 10.4 p -122.37 146.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.42 HG23 HG22 ' A' ' 70' ' ' VAL . 4.1 mp -119.36 110.7 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.007 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.57 125.17 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -101.83 155.56 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.8 p -105.22 144.9 31.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.89 5.09 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.13 -82.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 97.5 m-85 -145.91 154.29 50.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.0 10.51 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.264 1.976 . . . . 0.0 112.438 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.56 -14.46 9.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 30.1 mmmt -63.96 151.56 89.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.734 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.04 120.97 9.25 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.395 2.064 . . . . 0.0 112.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.44 -177.62 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.359 2.039 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.3 113.5 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.448 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 HG23 ' A' ' 57' ' ' ILE . 80.9 t -132.48 134.68 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -166.99 135.64 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.96 132.43 48.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.59 -31.86 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.3 t -95.7 155.07 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.27 150.71 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.664 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -159.45 161.96 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.328 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -143.13 108.24 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.599 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -122.09 160.09 48.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -15.1 23.82 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.492 2.128 . . . . 0.0 112.184 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -153.92 118.65 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.459 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 9.9 p -154.55 159.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.27 169.29 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.62 82.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.08 -2.44 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.22 0.06 59.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -60.92 148.7 38.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.736 0.303 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 87' ' ' ILE . 5.0 mp -91.36 132.09 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.405 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.11 96.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.3 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.576 HD22 ' H ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -118.16 144.31 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.984 0.421 . . . . 0.0 111.122 -179.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' HA ' ' NE2' ' A' ' 93' ' ' GLN . 8.6 m-20 -81.82 -15.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.576 ' H ' HD22 ' A' ' 89' ' ' LEU . 13.3 tt -73.3 -20.65 18.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.9 mt -71.44 -29.31 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 90' ' ' ASP . 2.6 mp0 -66.94 -163.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -2.52 2.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.706 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.34 8.67 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 60.4 t-105 -88.79 148.28 24.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 m -143.98 148.99 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.454 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.41 15.9 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.345 2.03 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.9 m -93.54 -45.37 7.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -67.12 175.2 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -137.98 -171.17 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.8 p -59.65 -22.45 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.4 t -69.78 -32.27 70.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.9 t -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.615 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -71.81 -34.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.486 -179.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.471 HD11 ' HA3' ' A' ' 26' ' ' GLY . 24.5 mt -61.65 -49.7 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.339 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.5 p -67.28 -27.81 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 89' ' ' LEU . 74.5 m -63.98 -46.05 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.392 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.77 -44.65 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' NE2' HG13 ' A' ' 24' ' ' VAL . 35.4 tt0 -60.07 -35.61 75.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -65.06 -29.23 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.818 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.06 -23.27 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.695 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.78 -43.86 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.708 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.82 -42.69 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.174 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.77 0.238 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -111.91 -20.82 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.419 . . . . 0.0 110.312 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -120.54 111.09 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.652 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 56.7 m -70.83 -28.6 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.379 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -74.22 -45.82 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.233 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.19 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.99 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.582 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.82 -50.78 61.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.147 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.1 -27.38 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.056 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.433 ' HD2' HE21 ' A' ' 131' ' ' GLN . 58.5 t80 -60.07 -23.57 63.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.433 HE21 ' HD2' ' A' ' 130' ' ' TYR . 22.8 mm-40 -98.53 -60.06 1.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.34 -79.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 136' ' ' GLU . 41.4 m-80 -116.8 96.12 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.95 -20.8 63.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -69.43 -37.44 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 133' ' ' ASN . 10.1 mm-40 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -78.37 -52.06 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.426 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.15 -36.36 75.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -61.13 -33.95 74.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -76.18 -40.35 52.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.27 -35.7 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m -69.28 -30.85 69.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.77 -54.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.529 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 pt -57.15 -41.03 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.743 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.22 -30.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.209 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.1 -32.64 74.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -67.05 -24.87 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.5 m -93.6 -4.55 50.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.548 0.213 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.07 -29.25 40.38 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.68 68.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.21 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HG2' HG12 ' A' ' 33' ' ' ILE . 6.1 tmm_? -66.04 -30.83 71.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.68 -44.71 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -59.57 -43.84 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.6 -28.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.46 -37.29 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -74.97 -28.83 60.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -73.48 -40.32 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.8 -39.78 86.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -51.55 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.654 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 1.2 tpm_? -57.85 -30.35 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.6 -44.37 97.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.97 -45.01 87.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HG3' HH21 ' A' ' 15' ' ' ARG . 8.8 mm-40 -62.38 -25.25 67.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.176 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -160.72 82.22 2.1 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.295 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.47 151.23 25.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.751 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HG3' HD12 ' A' ' 106' ' ' LEU . 55.9 Cg_endo -70.23 141.12 42.5 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.171 1.914 . . . . 0.0 112.244 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.8 137.23 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 -17.19 51.31 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.6 m -144.7 149.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.486 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -128.02 150.1 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.506 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -158.58 85.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.73 152.87 63.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.524 0.202 . . . . 0.0 111.082 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.17 115.71 4.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 112.001 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.8 t -84.93 -87.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -102.96 -5.93 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.568 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -85.15 146.02 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.782 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -61.86 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.257 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 HG12 ' HG2' ' A' ' 6' ' ' ARG . 9.2 tp -60.15 -26.29 35.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.5 -69.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.522 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.24 140.99 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.44 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.8 m0 -120.43 172.18 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.557 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -125.54 112.9 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.484 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.64 150.51 48.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 111.609 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 3.6 p -136.55 132.06 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.421 ' HA ' HG12 ' A' ' 24' ' ' VAL . 84.8 mt -119.79 128.31 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -101.39 142.83 32.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.72 138.91 48.76 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.447 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.75 159.28 51.21 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.392 2.061 . . . . 0.0 112.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.78 116.12 8.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.2 8.9 10.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.8 p -126.99 157.42 72.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.353 0.121 . . . . 0.0 110.827 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.5 Cg_endo -67.02 -1.53 6.33 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.17 1.913 . . . . 0.0 112.283 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.66 -6.25 20.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.26 -31.82 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.55 -45.83 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.7 171.14 55.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.719 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -125.16 152.14 44.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.667 0.27 . . . . 0.0 110.758 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 145' ' ' VAL . 74.6 m-85 -137.11 137.93 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 111.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 67.7 mttm -122.31 128.35 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.314 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.68 164.14 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.4 p -122.33 143.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.619 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.581 HG13 HG23 ' A' ' 70' ' ' VAL . 4.7 mp -116.09 109.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.5 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.68 123.63 33.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.91 150.55 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -113.3 160.8 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -93.07 10.8 29.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -143.96 151.75 53.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.76 -25.53 79.48 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.52 2.147 . . . . 0.0 112.295 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -98.7 -12.87 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.475 ' HE2' ' HD2' ' A' ' 67' ' ' PRO . 1.5 tpmt? -55.27 131.06 69.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 11.7 Cg_endo -54.88 109.05 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.583 2.189 . . . . 0.0 112.277 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 36.1 Cg_endo -65.27 -173.77 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.299 2.0 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.1 m -129.93 137.38 50.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 57' ' ' ILE . 10.4 p -140.16 149.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -165.69 150.61 8.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -77.89 136.55 38.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.237 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.07 -53.53 10.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.841 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -71.23 -13.62 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 56.35 96.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.494 ' HB2' HD12 ' A' ' 144' ' ' ILE . 20.9 ptm -102.53 164.04 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -87.71 121.22 29.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.239 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.87 156.37 62.26 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.741 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.29 -31.92 34.26 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.153 . . . . 0.0 111.868 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 78.5 m-20 -136.11 119.11 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.72 151.71 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -87.37 163.7 16.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.97 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.02 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.9 -13.55 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.03 2.59 74.41 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.583 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -70.36 150.9 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.01 135.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -70.77 105.86 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -152.44 138.59 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.438 ' H ' HD13 ' A' ' 89' ' ' LEU . 3.7 m-20 -65.23 -19.05 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 89' ' ' LEU . 14.7 tt -73.23 -27.29 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.281 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.48 -26.4 66.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.97 -167.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -69.45 -0.42 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -72.27 -12.0 60.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.619 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -58.26 144.94 39.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 m -131.14 148.5 70.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.1 -7.89 21.29 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.428 2.086 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.9 p -74.3 -35.48 63.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -74.08 173.36 10.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -125.3 -173.78 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.9 -34.63 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.4 p -60.93 -32.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -57.58 -42.77 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -29.97 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.506 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.0 mt -65.84 -54.16 30.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.777 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.0 p -61.97 -28.59 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.5 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -63.97 -48.41 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.44 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.92 -32.61 74.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.678 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 t -65.71 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.834 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.49 -32.1 69.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.93 -45.08 62.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.27 -64.93 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.071 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo . . . . . 0 N--CA 1.463 -0.307 0 CA-C-O 120.825 0.26 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.05 -42.85 6.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 3.4 t30 -107.14 101.74 11.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.6 p -70.35 -31.22 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.768 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -36.69 84.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.772 0.32 . . . . 0.0 111.311 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.42 -54.82 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.646 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.01 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.399 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.38 -27.17 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.54 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -94.71 -17.81 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -93.34 -79.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.223 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -112.07 99.7 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -72.7 -24.02 60.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.93 -30.17 66.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.03 -27.62 61.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 141' ' ' VAL . 57.9 t80 -75.98 -48.85 19.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.101 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.65 -49.14 77.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.614 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.33 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.18 -32.88 72.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 137' ' ' TYR . 86.8 t -66.89 -45.11 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.2 p -68.78 -30.13 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -52.87 26.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.592 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.604 ' HA ' HE21 ' A' ' 147' ' ' GLN . 34.6 pt -60.88 -38.55 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.469 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.4 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 82.5 t -69.95 -36.22 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.962 0.411 . . . . 0.0 110.787 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.57 -28.72 70.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.032 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . 0.604 HE21 ' HA ' ' A' ' 144' ' ' ILE . 38.7 mt-30 -58.21 -50.78 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.226 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.2 t -98.64 -80.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.591 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.655 0.264 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.95 -36.53 22.43 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.666 2.244 . . . . 0.0 112.575 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -57.07 -44.85 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -66.75 -51.87 50.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.438 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -60.2 -29.24 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.754 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -42.87 64.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.691 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.92 -29.15 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.558 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.476 ' HB3' HG12 ' A' ' 102' ' ' VAL . 12.5 m-20 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.69 -44.49 96.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -51.55 -39.71 58.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.171 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -79.52 -25.5 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -68.38 -45.27 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.55 -33.45 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.71 -31.87 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.099 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -159.91 88.8 1.91 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HA ' HD13 ' A' ' 16' ' ' LEU . 36.4 Cg_endo -64.93 158.55 50.78 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.5 2.133 . . . . 0.0 112.31 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 21.4 Cg_exo -64.89 159.43 46.06 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.99 126.88 43.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.62 -30.35 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.67 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.41 HG13 ' NE2' ' A' ' 110' ' ' GLN . 29.6 m -130.39 148.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.207 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.1 t -131.76 144.67 51.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.514 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.96 115.85 0.7 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.776 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.82 151.19 17.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.376 0.132 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.14 114.83 3.17 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.34 2.027 . . . . 0.0 112.234 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -101.08 -75.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -102.12 -44.3 5.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -66.75 145.91 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.7 -173.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 tt -56.37 -27.73 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -59.32 -62.27 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.128 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.479 HE21 HG21 ' A' ' 56' ' ' VAL . 37.9 mt-30 -99.05 134.94 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.062 0.458 . . . . 0.0 111.182 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.3 m0 -112.44 150.93 30.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.248 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.88 108.87 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.23 149.31 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.622 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -128.97 121.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -110.59 133.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -104.02 133.81 48.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.83 141.49 44.84 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 114' ' ' ASP . 29.9 Cg_endo -63.1 -177.74 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.395 2.063 . . . . 0.0 112.169 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -87.23 163.25 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.749 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.2 21.47 56.63 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.659 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.436 HG21 ' HG2' ' A' ' 43' ' ' PRO . 74.2 p -126.51 155.76 74.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.472 0.136 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.88 -2.97 10.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.183 1.922 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.85 -7.36 22.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.656 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.11 -29.27 68.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.83 -33.86 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.432 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.64 176.33 34.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.087 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.1 p -136.69 143.78 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 0.0 110.741 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -123.82 145.16 49.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 111.32 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -120.14 136.5 54.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.496 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.68 164.46 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.491 -179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG21 HE21 ' A' ' 35' ' ' GLN . 7.1 p -122.8 138.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -107.43 110.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.59 139.24 36.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.0 138.91 49.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.572 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -108.25 124.39 50.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.36 94.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.62 -78.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.73 154.25 58.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.81 -7.88 20.84 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.391 2.06 . . . . 0.0 112.409 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -119.97 9.72 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -82.25 131.77 55.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.73 135.3 66.8 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.306 2.004 . . . . 0.0 112.316 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.33 -179.39 5.36 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.454 2.102 . . . . 0.0 112.505 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.01 114.38 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 87' ' ' ILE . 7.9 p -127.1 144.6 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -156.87 149.93 23.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE2' HD12 ' A' ' 55' ' ' LEU . 53.2 m-85 -71.01 144.65 50.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.89 -37.97 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -94.73 177.49 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.983 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 11.3 mmpt? -72.53 135.68 45.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.78 160.73 42.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -138.89 115.96 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -129.92 157.79 75.8 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.95 -25.32 79.21 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.507 2.138 . . . . 0.0 112.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -135.24 119.45 17.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.25 147.84 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.54 -171.86 3.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.14 11.51 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.02 80.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.415 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -65.4 152.95 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.7 0.285 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -92.68 139.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.8 t -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -145.65 139.59 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' H ' HD13 ' A' ' 89' ' ' LEU . 7.2 m-20 -61.55 -25.86 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 89' ' ' LEU . 18.9 tt -69.42 -21.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.71 -18.09 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.42 -163.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.797 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.37 -4.16 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -75.99 -13.89 60.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -58.27 145.12 38.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.5 m -137.4 147.27 57.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.606 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.43 -5.43 17.11 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.356 2.037 . . . . 0.0 112.554 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -76.42 -35.13 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -68.32 178.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.68 177.74 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 12' ' ' ASP . 9.0 p -61.11 -21.98 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.697 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.3 t -68.74 -33.66 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -68.43 -50.25 54.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.391 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -34.37 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.272 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.68 -43.43 97.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.4 p -74.49 -27.29 60.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -61.19 -36.1 78.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.39 -40.15 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.41 ' NE2' HG13 ' A' ' 24' ' ' VAL . 36.5 tt0 -61.81 -42.7 99.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.8 tm? -58.62 -39.38 80.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.341 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.04 -44.23 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.441 ' HB2' ' HG3' ' A' ' 43' ' ' PRO . 17.3 t70 -57.22 -52.61 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.159 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 CA--C 1.532 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.257 -179.866 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo . . . . . 0 C--O 1.23 0.098 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.97 -41.6 9.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.26 111.9 24.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 p -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.561 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.08 -53.08 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.488 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.38 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.8 76.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.668 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.63 -48.97 62.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.576 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -63.32 -35.61 80.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -98.99 -12.87 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.501 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -97.06 -76.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.483 HD21 ' HB3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -114.3 102.53 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.73 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -69.55 -28.97 66.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.483 ' HB3' HD21 ' A' ' 133' ' ' ASN . 52.5 ttp180 -61.74 -33.63 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.289 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.72 -28.1 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.355 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -74.38 -49.69 21.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.77 -45.16 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.376 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -58.39 -33.14 69.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.32 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 140' ' ' ARG . 3.6 mmp_? -71.69 -35.06 70.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.25 -50.97 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.3 t -68.14 -30.3 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -56.12 12.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 40.2 pt -59.22 -32.99 49.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.752 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.83 -38.33 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.97 -42.99 95.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.13 -34.85 77.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.7 t -99.63 15.14 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.818 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.599 0.238 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.98 -33.69 62.02 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.585 2.19 . . . . 0.0 112.279 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.68 86.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 10' ' ' MET . 79.9 ttt180 -63.35 -53.64 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.88 -39.39 91.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.435 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 29.2 mmt180 -63.57 -50.64 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -65.1 -30.81 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 74.2 mtp -60.27 -31.18 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -67.16 -30.41 70.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.421 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.31 -30.7 71.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.17 -49.92 70.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -36.62 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.125 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -68.72 -32.04 71.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.2 -46.77 88.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.85 -34.86 73.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.43 -50.66 72.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -140.31 80.53 19.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.689 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 33.8 Cg_endo -64.37 139.85 67.21 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.551 2.167 . . . . 0.0 112.292 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.3 Cg_exo -64.36 145.97 89.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.456 2.104 . . . . 0.0 112.145 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.31 135.17 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.13 -17.67 49.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.678 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 ' HB ' HD12 ' A' ' 106' ' ' LEU . 31.4 m -141.27 144.88 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 111.55 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -123.46 156.33 35.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.352 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 98.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.673 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.54 152.66 27.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.471 0.177 . . . . 0.0 111.063 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.31 110.23 2.61 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.475 2.117 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 t -86.85 -79.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -116.48 -15.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 16.3 m120 -78.08 146.9 34.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.33 178.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.791 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 9' ' ' LEU . 9.0 tp -62.39 -32.57 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.58 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -77.85 1.89 18.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.579 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 45.8 tt0 -144.06 112.1 6.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 111.03 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.454 ' O ' HG23 ' A' ' 56' ' ' VAL . 19.6 m0 -108.44 152.78 24.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -102.89 112.67 25.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -127.83 149.99 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.436 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.2 121.33 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HA ' HG12 ' A' ' 24' ' ' VAL . 72.1 mt -104.78 126.54 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.325 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -93.58 137.28 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.58 136.45 41.88 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HD3' HD12 ' A' ' 113' ' ' LEU . 59.1 Cg_endo -71.89 137.22 29.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.68 112.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.85 -6.74 6.14 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -115.56 158.35 41.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.29 0.09 . . . . 0.0 110.817 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.51 -1.19 3.64 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.234 1.956 . . . . 0.0 112.548 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.63 -13.88 16.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -20.72 65.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.38 -27.26 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.687 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -125.39 -169.15 12.86 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.828 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.3 p -132.24 166.94 20.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.71 0.29 . . . . 0.0 110.69 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -144.01 139.05 28.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.0 123.25 45.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.25 163.49 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.24 -179.728 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 73' ' ' LEU . 7.2 p -117.05 141.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 mp -112.14 109.78 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.69 132.59 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -109.74 151.15 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -101.56 145.19 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.75 11.87 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.45 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.004 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 82.6 m-85 -147.11 154.37 46.28 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 57.3 Cg_endo -71.75 4.38 3.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.473 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -113.99 -17.05 12.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.026 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 45.2 mmtm -64.9 153.86 87.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 37.9 Cg_endo -66.37 114.01 2.89 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.51 2.14 . . . . 0.0 112.201 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 31.8 Cg_endo -64.05 179.63 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.465 2.11 . . . . 0.0 112.608 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.15 136.76 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.34 138.69 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -152.93 140.13 19.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.35 154.93 36.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 ' HB ' ' A' ' 56' ' ' VAL . 95.6 mt -111.77 -38.13 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -87.12 24.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 62.56 162.65 0.09 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -162.61 164.2 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -141.36 107.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -129.16 155.98 79.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.55 -25.97 80.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.53 2.154 . . . . 0.0 112.047 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 122' ' ' ALA . 71.7 m-20 -133.01 118.28 18.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.53 151.32 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.688 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.63 161.78 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.41 -13.58 59.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.12 1.6 62.79 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -65.52 152.66 43.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.2 mp -82.73 135.56 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 79.2 m -78.59 101.67 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.99 143.43 31.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.36 -23.28 54.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 16.3 tt -69.63 -22.6 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.17 -10.3 47.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.92 -158.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.86 -12.28 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -74.17 -10.76 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.058 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 57.9 t-105 -57.8 134.91 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 70.2 m -122.68 145.93 46.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 11.4 Cg_exo -71.17 -1.14 9.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.658 2.238 . . . . 0.0 112.603 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 t -80.51 -26.04 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.564 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -75.67 -179.02 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.65 -173.71 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.26 -25.14 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.8 m -71.04 -32.47 69.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.223 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.2 t -62.36 -51.89 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.518 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.62 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.156 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -62.7 -52.67 62.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.9 p -71.85 -27.45 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.511 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.0 m -58.07 -48.61 79.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.6 -36.88 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.01 -32.91 73.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.719 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.0 m -64.43 -29.63 70.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.25 -24.11 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.52 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -82.24 -44.7 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.822 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.9 -36.6 59.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.296 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 -179.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.856 0.273 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 80' ' ' ASN . . . -106.52 -37.45 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -111.12 108.36 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.5 m -69.68 -30.73 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.19 -52.29 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 111.156 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.12 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.42 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.65 -34.97 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -73.13 -44.67 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.65 -27.51 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.89 -39.4 93.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.69 -10.28 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.171 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.5 -80.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -116.57 98.25 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -69.35 -23.37 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.24 -35.49 79.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -74.63 -27.31 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -75.62 -41.58 53.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.272 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.19 -33.68 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.91 -32.1 67.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -73.02 -44.56 60.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.78 -37.18 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.9 p -71.58 -30.48 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -55.91 9.45 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 38.7 pt -56.25 -31.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 51' ' ' GLY . 31.1 t -79.26 -31.99 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.49 -43.19 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.26 -31.23 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.309 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.0 m -101.06 13.48 35.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.62 -32.24 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.438 2.092 . . . . 0.0 112.178 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.73 75.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 3' ' ' THR . 4.2 tmm_? -66.11 -48.6 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.042 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.76 -33.8 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.677 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -63.9 -46.4 85.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.113 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.46 -28.79 63.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.54 -39.6 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -73.33 -31.69 64.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.031 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.6 -40.08 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.267 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -68.55 -32.46 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.019 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -69.48 -39.82 77.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -79.84 -25.46 40.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.48 -43.36 73.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.344 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.96 -30.08 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.359 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 13.8 mm-40 -64.82 -51.05 64.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.802 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.04 82.87 8.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.51 158.15 47.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.497 2.132 . . . . 0.0 112.294 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.12 157.66 56.19 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.485 2.124 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.28 141.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.63 -23.19 7.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.1 m -140.09 158.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.9 t -141.48 144.41 34.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -149.13 117.31 0.86 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.57 151.5 15.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.502 0.192 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.8 115.1 3.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.494 2.129 . . . . 0.0 112.345 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 m -99.78 -71.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -82.67 -63.79 1.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.39 146.53 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.53 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.0 tt -123.9 -27.69 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -51.83 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -89.42 143.82 26.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -119.88 144.02 47.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.284 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.82 113.1 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.85 149.88 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.305 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -128.23 128.71 68.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.497 ' HA ' HG12 ' A' ' 24' ' ' VAL . 77.1 mt -116.51 125.72 73.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -98.23 140.42 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.59 139.61 48.08 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.703 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' HD12 ' A' ' 113' ' ' LEU . 69.3 Cg_endo -74.58 153.18 43.84 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.504 2.136 . . . . 0.0 112.398 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.21 115.6 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.17 16.78 5.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -135.76 157.43 76.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.416 0.15 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.77 0.6 3.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.599 2.199 . . . . 0.0 112.18 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.12 -8.8 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.61 -28.26 65.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.02 -20.74 30.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.483 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -108.29 178.74 21.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.876 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.2 p -135.31 146.43 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -129.47 149.63 51.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -126.84 138.99 53.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.91 164.32 29.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.07 137.49 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.879 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -108.99 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -91.62 125.05 36.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.99 146.53 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 m -112.99 134.13 54.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.42 11.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.625 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -57.2 -80.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.257 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -141.48 155.58 67.19 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.26 -9.73 26.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.51 2.14 . . . . 0.0 112.313 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -110.07 -14.32 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.76 130.81 85.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.42 135.14 64.74 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.392 2.062 . . . . 0.0 112.482 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.57 174.29 12.0 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.496 2.13 . . . . 0.0 112.33 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 140.66 50.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.09 143.79 17.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -158.62 144.21 16.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.038 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.57 142.3 50.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -79.81 -32.72 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 m -97.06 155.01 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 17.2 tptp -71.26 115.9 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 144' ' ' ILE . 63.3 ttp -124.16 143.79 50.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.018 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' H ' HD13 ' A' ' 144' ' ' ILE . 71.2 t80 -103.41 110.58 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.417 ' HD2' ' H ' ' A' ' 80' ' ' ASN . 30.6 t60 -130.47 138.74 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -46.65 -29.02 7.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.93 2.42 . . . . 0.0 112.911 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.3 m120 -131.57 118.57 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.25 156.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -96.78 171.85 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.76 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.7 -3.75 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.91 75.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.406 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.6 m -70.56 -178.29 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.658 0.266 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.47 138.41 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.47 93.78 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -107.17 150.09 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.523 ' H ' HD13 ' A' ' 89' ' ' LEU . 29.9 t70 -75.1 -8.39 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 89' ' ' LEU . 15.3 tt -73.07 -16.9 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.51 -8.42 59.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -85.17 -155.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -62.86 -11.74 20.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.31 -8.3 57.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -62.06 140.32 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.5 m -123.44 146.55 50.04 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.11 -30.79 8.45 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.412 2.075 . . . . 0.0 112.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 30.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.723 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -55.18 169.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -137.2 147.14 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.48 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.2 t -56.89 -31.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.86 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.5 t -65.35 -46.6 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -61.11 -30.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.739 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' HA3' ' A' ' 26' ' ' GLY . 85.7 mt -73.64 -49.29 26.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -64.29 -27.74 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -66.69 -46.07 76.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -72.95 -36.14 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.45 -36.67 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.055 0.455 . . . . 0.0 110.595 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.7 m -68.93 -29.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.83 -28.51 64.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.772 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.417 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -75.39 -44.02 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.401 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.81 -66.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.887 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.261 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.461 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -94.77 -29.52 14.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.805 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 47.7 t-20 -121.3 118.53 29.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.372 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -69.8 -49.55 51.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.543 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -61.47 -47.87 83.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.53 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -54.52 -49.67 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.628 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.36 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.421 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.17 -32.33 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.335 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.99 -27.15 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.12 -28.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.38 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.62 -43.71 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.28 -78.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -112.76 91.29 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 4.7 ttpm? -66.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -32.51 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.31 -27.23 61.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.09 -50.5 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.45 -35.94 75.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -67.81 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -71.67 -33.36 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.93 -48.48 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.345 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.5 m -66.65 -30.42 70.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.35 3.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 76' ' ' MET . 43.2 pt -56.6 -31.96 35.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.784 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.499 HG13 ' HA3' ' A' ' 51' ' ' GLY . 41.5 t -72.44 -46.28 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 41.2 mt-10 -62.57 -34.22 76.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.662 0.268 . . . . 0.0 111.384 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.33 -45.41 80.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.4 m -95.21 13.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . 0.462 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 5.4 t90 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 9.8 Cg_endo -79.21 -32.48 1.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.329 2.019 . . . . 0.0 111.997 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.54 -34.08 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.105 0.478 . . . . 0.0 110.299 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' HG22 ' A' ' 3' ' ' THR . 52.3 mtp180 -66.45 -50.71 62.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.971 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.507 ' HE ' ' HA ' ' A' ' 4' ' ' PRO . 83.9 mtm180 -59.95 -34.4 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -59.46 -49.83 76.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.23 -36.28 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtt -66.73 -36.25 82.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -66.24 -33.05 74.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.631 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.99 -30.58 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -69.95 -50.29 43.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.222 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -32.26 72.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -79.49 -25.46 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -73.44 -44.44 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.55 -40.47 95.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.578 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.56 -21.32 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.37 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -170.77 85.16 0.52 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.386 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.98 162.53 26.27 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.618 2.212 . . . . 0.0 112.281 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.3 142.11 26.59 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.489 2.126 . . . . 0.0 112.15 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.32 128.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.96 -23.68 30.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.658 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG12 HG23 ' A' ' 40' ' ' ILE . 20.0 m -140.59 139.51 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.695 0.284 . . . . 0.0 111.35 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -115.19 142.39 46.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.41 90.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.585 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.32 155.25 61.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.47 0.176 . . . . 0.0 111.062 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.39 120.06 6.95 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.379 2.052 . . . . 0.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 m -115.98 93.96 4.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.52 -4.49 0.56 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -95.47 146.12 24.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.92 163.37 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -57.45 -22.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.31 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.87 132.33 37.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -119.59 153.08 36.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -103.68 129.16 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.99 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.25 150.8 35.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.0 111.692 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 54' ' ' LYS . 7.3 p -136.36 134.5 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.739 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.416 HG23 HG12 ' A' ' 24' ' ' VAL . 83.1 mt -117.54 130.14 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -97.78 133.91 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.96 149.02 22.55 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' HD12 ' A' ' 113' ' ' LEU . 52.3 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.465 2.11 . . . . 0.0 112.403 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.14 120.59 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.4 14.49 12.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 75.3 p -127.05 158.19 69.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.983 -0.128 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 44.1 Cg_endo -68.19 3.7 1.94 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.39 2.06 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.2 -10.54 14.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.784 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.17 -28.86 63.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.96 -27.31 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.382 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.42 174.11 29.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.901 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.6 p -133.26 129.81 38.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -115.37 135.97 53.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.19 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 39' ' ' VAL . 8.6 mtmm -111.88 147.61 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.588 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -145.02 164.38 31.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.349 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.0 139.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.983 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -114.06 115.96 51.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -101.68 138.47 38.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -116.6 155.88 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -103.89 134.32 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.683 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.89 -8.14 26.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.366 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.33 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.785 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -148.13 148.88 30.88 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.39 -15.87 52.05 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.564 2.176 . . . . 0.0 112.541 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.22 -25.07 20.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.519 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.2 147.54 17.76 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 71.8 Cg_exo -51.9 110.22 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.435 2.09 . . . . 0.0 112.36 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 39.1 Cg_endo -66.4 160.43 45.55 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.408 2.072 . . . . 0.0 112.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 m -122.4 118.15 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 HD13 ' A' ' 87' ' ' ILE . 9.4 p -136.77 141.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -156.94 153.53 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.99 141.66 38.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.0 -36.38 30.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.275 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -86.01 171.67 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.747 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -94.17 119.09 32.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.047 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.1 ptm -128.92 162.89 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.47 ' H ' HD13 ' A' ' 144' ' ' ILE . 58.0 t80 -118.52 108.05 14.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.593 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -119.1 138.15 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.18 -24.24 14.61 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.591 2.194 . . . . 0.0 112.321 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -140.38 118.31 11.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.427 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -154.76 158.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -86.02 176.83 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.26 69.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.383 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.47 -14.19 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.57 10.98 34.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.614 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -65.18 160.27 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.459 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -96.11 143.0 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.79 110.28 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -144.77 143.98 30.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.756 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.529 ' H ' HD13 ' A' ' 89' ' ' LEU . 5.1 p-10 -70.62 -24.51 62.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.545 HG22 HD12 ' A' ' 89' ' ' LEU . 15.3 tt -69.88 -22.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -70.82 -29.23 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.044 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.45 -163.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -64.77 -4.89 4.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.306 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.9 -6.41 44.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.59 141.27 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.7 m -129.02 150.02 74.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.03 12.79 2.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.54 2.16 . . . . 0.0 112.703 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.6 p -97.92 -16.47 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.11 160.32 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -107.7 -172.81 2.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.79 -22.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -70.37 -32.61 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.6 t -57.12 -51.64 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.204 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -27.96 34.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.91 -46.3 85.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -74.63 -28.79 61.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.542 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.0 m -57.03 -48.64 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.225 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.32 -38.04 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.77 -35.2 77.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.4 t -70.84 -29.32 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.017 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.74 -26.89 64.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.423 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -76.3 -41.34 48.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.97 -62.15 2.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.931 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.716 0.215 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.427 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -104.49 -16.66 15.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -134.58 100.44 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.43 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 76.0 p -66.44 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.46 -50.84 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -56.43 -47.12 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.3 75.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.56 -51.33 69.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.11 -30.94 70.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.361 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -57.35 -33.7 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.08 -15.07 15.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -96.34 -76.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -102.47 83.68 2.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.08 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 8.1 mtpm? -66.41 -27.54 67.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -70.38 -30.68 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.407 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -79.08 -27.69 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -74.88 -45.55 42.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.47 -51.92 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.173 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -57.07 -31.99 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.55 -35.84 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.079 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 145' ' ' VAL . 60.4 t -60.04 -46.78 93.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.0 t -70.59 -30.22 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.283 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.55 -57.46 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.61 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 77' ' ' PHE . 35.6 pt -59.21 -40.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.433 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.2 t -64.47 -48.27 85.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.431 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.01 -35.84 59.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.661 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -64.33 -43.39 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.9 t -98.95 15.71 24.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.1 t90 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.56 -29.67 90.48 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.654 2.236 . . . . 0.0 112.444 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.89 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.65 -52.98 62.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.83 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.357 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -36.32 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 55.2 mtt -57.28 -39.5 75.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.826 0.346 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -59.89 -30.21 68.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -62.55 -48.47 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -55.42 -40.83 71.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 0.0 109.937 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -63.44 -31.7 72.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.022 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.24 -42.26 84.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.7 -39.52 80.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.235 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.19 -35.06 78.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.148 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -163.39 89.25 1.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.511 ' HA ' HD13 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -65.81 157.04 61.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.189 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HG3' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -59.64 154.09 51.12 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 112.053 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.99 137.49 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.78 -22.63 8.83 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.381 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 40' ' ' ILE . 18.9 m -139.7 167.9 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 p -146.66 133.92 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.555 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -143.93 111.17 0.61 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.6 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.56 154.27 22.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.62 109.56 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.324 2.016 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.3 p -70.61 -62.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.73 -33.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -62.81 146.75 51.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.669 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' ND2' ' H ' ' A' ' 33' ' ' ILE . 3.1 t-20 -48.29 167.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' HE1' ' A' ' 36' ' ' TRP . 19.5 tt -58.08 -18.69 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.741 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.8 mtp -74.72 -2.45 26.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.338 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -147.32 115.42 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.69 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' HE1' HG13 ' A' ' 33' ' ' ILE . 13.6 m0 -111.17 139.42 46.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -104.05 124.34 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.22 150.17 48.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 0.0 111.646 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -119.8 109.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.492 ' HA ' HG12 ' A' ' 24' ' ' VAL . 61.8 mt -103.83 134.11 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -105.06 130.74 53.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.25 144.34 42.75 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.49 155.6 59.39 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.417 2.078 . . . . 0.0 112.367 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.09 118.56 14.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.52 16.61 6.42 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.515 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 66.7 p -131.54 159.52 71.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.318 0.104 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.9 Cg_endo -66.83 2.95 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.201 1.934 . . . . 0.0 112.412 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.7 -7.23 16.46 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.93 -31.56 72.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.495 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.5 2.49 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.552 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.54 179.83 18.37 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -131.18 161.02 33.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -139.81 159.33 42.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -135.05 134.9 40.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.685 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.38 164.13 29.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.313 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 p -119.72 134.41 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -107.54 110.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.69 144.5 25.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.93 133.07 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -96.47 140.83 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.96 9.39 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.67 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -144.17 154.05 57.19 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.92 -19.61 64.05 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.45 2.1 . . . . 0.0 111.958 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HA ' ' HE1' ' A' ' 96' ' ' TRP . 26.0 t-20 -95.74 -15.86 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 51.8 tptt -60.79 128.93 89.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 24.5 Cg_endo -61.72 115.8 3.02 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.295 1.997 . . . . 0.0 112.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.69 178.85 0.6 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.365 2.043 . . . . 0.0 112.247 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 m -125.32 120.36 30.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -128.69 146.05 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -160.89 150.85 17.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.8 136.18 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.17 -45.06 16.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -86.1 169.86 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -57.94 135.63 56.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -145.7 160.25 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.072 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -148.9 111.37 4.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -131.73 156.03 80.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.76 -22.68 74.11 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.398 2.065 . . . . 0.0 112.316 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 15.5 m120 -130.93 118.35 20.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 123' ' ' ASN . 9.2 p -154.83 161.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.66 172.02 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.868 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.99 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.61 -11.77 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.5 1.64 60.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.695 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -65.96 169.74 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.2 mp -105.0 149.65 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.57 104.74 15.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.4 mp -119.98 126.48 50.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.33 -18.72 61.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.285 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 tt -70.28 -24.27 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.738 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.2 -20.37 51.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -71.26 -160.82 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.83 -10.2 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -82.14 9.25 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.455 ' HE1' ' HA ' ' A' ' 65' ' ' ASN . 56.7 t-105 -80.75 145.93 31.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 t -137.02 145.74 51.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.96 -3.76 8.91 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.355 2.037 . . . . 0.0 112.061 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.2 m -80.58 -46.36 15.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.51 143.57 23.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -124.24 -171.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.329 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 105' ' ' ILE . 62.5 t -56.79 -26.62 24.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.9 m -69.05 -32.36 71.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.4 m -73.19 -48.21 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.075 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.36 -37.99 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.664 0.269 . . . . 0.0 111.515 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.555 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.9 mt -67.96 -52.01 40.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.6 p -60.96 -27.31 68.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.365 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.9 m -67.22 -48.49 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.6 -39.2 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.473 ' NE2' HG13 ' A' ' 24' ' ' VAL . 5.4 tt0 -60.26 -46.32 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.5 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -68.77 -29.1 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.69 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.59 -36.86 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 35.4 t70 -57.12 -62.79 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.2 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.414 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 39.0 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.311 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.233 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.44 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -90.72 -28.03 18.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.416 ' HB2' HG12 ' A' ' 81' ' ' VAL . 9.4 t-20 -123.36 100.27 6.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.249 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.0 t -65.22 -31.23 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.003 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.54 -49.72 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 111.626 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.85 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.908 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.84 87.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.595 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.33 -45.65 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 132' ' ' GLU . 89.5 mt -62.58 -26.93 68.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.19 -37.19 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -103.22 -31.49 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.212 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 129' ' ' LEU . 21.4 mm-40 -69.27 -75.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.37 99.56 6.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -69.68 -28.89 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.97 -34.36 77.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.62 -27.53 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -71.88 -48.26 47.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.22 -34.08 74.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.443 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.7 -30.33 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -74.52 -45.13 47.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.98 -33.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.5 p -71.49 -30.67 66.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.38 14.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.4 pt -56.69 -32.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 52.5 t -79.06 -36.63 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.32 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.28 -44.42 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.25 -29.33 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.0 m -104.07 10.01 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 2.2 t90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.75 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -80.2 -31.24 1.78 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.435 2.09 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.511 ' H ' HG23 ' A' ' 3' ' ' THR . . . -61.67 -33.84 74.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.37 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -73.1 -40.21 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -62.55 -40.09 95.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -62.66 -46.14 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.74 -33.73 64.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 67.6 mtt -62.01 -41.4 98.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.62 -29.41 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 102' ' ' VAL . 22.5 m-20 -72.22 -43.48 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -65.19 -36.33 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.334 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -66.62 -34.53 78.09 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -79.42 -30.06 42.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -34.64 76.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.97 -34.97 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.36 -40.74 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.304 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -157.19 86.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 153.34 78.3 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.101 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 103' ' ' SER . 19.5 Cg_endo -61.35 157.58 39.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.345 2.03 . . . . 0.0 112.229 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.57 143.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.593 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 70.71 -3.75 11.5 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.751 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 106' ' ' LEU . 9.5 p -157.03 150.5 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -139.4 134.54 32.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.562 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -139.45 119.52 1.7 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.82 150.88 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.405 0.145 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.14 116.19 4.61 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 112.267 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -97.59 -86.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.86 -19.81 17.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -81.77 145.74 30.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.38 179.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -56.71 -22.24 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.769 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.2 mtp -61.03 -58.98 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -103.78 147.36 27.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.098 0.475 . . . . 0.0 111.26 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -122.23 148.81 44.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.655 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -100.82 107.52 19.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.24 148.39 45.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.87 126.29 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.65 135.15 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.317 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -109.76 128.05 55.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.91 141.54 24.06 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.75 171.7 11.72 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.385 2.057 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.93 120.7 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.15 10.33 13.97 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.587 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 73.0 p -125.17 157.77 66.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.37 0.129 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HB2' HG11 ' A' ' 141' ' ' VAL . 38.2 Cg_endo -67.07 -1.84 6.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.226 1.951 . . . . 0.0 112.046 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -101.98 -7.86 22.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.35 -34.27 73.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.07 -2.6 58.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -122.0 177.24 16.47 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.754 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -136.8 153.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.071 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -137.97 153.91 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -127.95 151.71 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -156.08 153.92 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.65 147.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.337 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -119.11 112.78 39.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -99.64 124.47 44.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.15 145.78 28.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -98.0 140.54 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.01 1.38 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.19 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.75 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.595 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 66.5 m-85 -148.68 152.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.703 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 15.5 Cg_exo -68.16 -8.36 22.57 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.7 2.267 . . . . 0.0 112.881 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -105.56 -5.01 20.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.595 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 32.2 mmtp -72.68 149.86 90.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.847 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.18 111.54 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.624 2.216 . . . . 0.0 112.444 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.5 -176.72 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.422 2.081 . . . . 0.0 112.395 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -131.15 116.17 17.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 62.1 t -137.39 142.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.136 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -168.14 143.07 3.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.78 120.99 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.56 -29.38 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.408 . . . . 0.0 110.265 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 p -84.5 169.61 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -78.39 122.58 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.61 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.53 163.7 32.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.474 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -142.08 114.47 8.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.429 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -124.26 156.64 66.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.28 -15.45 49.63 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.512 2.142 . . . . 0.0 112.302 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.61 HD22 ' HB3' ' A' ' 88' ' ' CYS . 2.0 p-10 -147.64 118.26 7.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 12.2 p -154.97 150.42 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.667 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.14 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.71 -15.61 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.672 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.63 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 t -81.36 151.1 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.313 . . . . 0.0 110.793 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp -76.65 133.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.61 ' HB3' HD22 ' A' ' 80' ' ' ASN . 54.1 t -78.19 106.59 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -148.39 141.36 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.604 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.07 -15.73 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.454 HG22 ' HB3' ' A' ' 89' ' ' LEU . 19.7 tt -72.3 -30.72 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.8 mt -75.06 -7.15 52.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -80.78 -162.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -67.25 -4.91 11.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -78.94 -13.5 59.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.105 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 62.7 t-105 -58.95 143.45 48.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 m -134.45 147.26 62.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.06 -2.54 12.17 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.245 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -75.08 -37.55 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.62 169.28 11.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -120.63 -174.15 2.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.32 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 12' ' ' ASP . 87.1 t -63.08 -26.24 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.177 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 21' ' ' PRO . 50.4 m -69.78 -32.2 70.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -63.97 -51.87 62.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.748 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -33.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.316 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.562 HD11 ' HA3' ' A' ' 26' ' ' GLY . 63.5 mt -67.36 -50.22 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.1 p -64.09 -27.46 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.7 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 p -62.5 -47.82 82.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.49 -39.19 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.593 HE22 ' HA3' ' A' ' 23' ' ' GLY . 53.6 tt0 -58.3 -40.0 80.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -71.67 -29.35 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.4 tm? -55.31 -34.31 64.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.583 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.58 -42.61 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.767 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.86 -33.62 73.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.045 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -179.804 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.807 0.253 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -112.21 -25.55 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -116.77 105.3 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -66.78 -36.64 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.298 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 -47.27 84.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.45 54.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.28 75.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.44 -45.33 84.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.235 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.56 -27.2 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.14 -36.38 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.429 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -95.86 -11.69 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.174 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -96.7 -73.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.928 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -123.44 100.75 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.38 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -57.66 -42.56 83.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -35.21 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.43 -47.56 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.29 -30.57 70.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -76.17 -31.81 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 47' ' ' PRO . 59.8 t -71.66 -48.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.9 p -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.28 -55.66 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.712 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 47.3 pt -60.12 -32.36 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.767 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.437 HG13 ' HA3' ' A' ' 51' ' ' GLY . 54.8 t -71.56 -46.39 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.98 -32.6 73.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.317 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.75 -38.47 73.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.0 t -101.5 15.41 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.657 -179.824 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.788 0.328 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t -122.78 167.84 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.48 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.67 165.08 8.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.173 -179.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -80.0 -31.92 1.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.365 2.043 . . . . 0.0 111.857 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 3' ' ' THR . . . -61.82 -33.97 75.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -68.85 -45.53 70.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.113 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HD3' HH21 ' A' ' 11' ' ' ARG . 42.4 ttm180 -59.03 -42.27 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.039 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -58.95 -44.15 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.016 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.17 -29.95 67.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.55 -32.76 64.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.456 HH21 ' HD3' ' A' ' 7' ' ' ARG . 97.5 mtt180 -74.83 -28.37 60.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.745 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.02 -37.63 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.245 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -59.06 -53.09 62.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.247 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -38.55 83.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.47 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -66.73 -26.7 67.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 tp -71.45 -35.51 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.679 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -69.8 -33.69 72.7 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -64.15 -39.17 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -162.3 84.1 1.61 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.804 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.61 155.65 44.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.585 2.19 . . . . 0.0 112.312 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.6 137.57 46.66 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.376 2.05 . . . . 0.0 112.182 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.2 t -82.41 132.76 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.63 -27.95 17.77 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.716 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG13 HE21 ' A' ' 110' ' ' GLN . 16.9 m -138.65 143.19 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 111.246 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.7 m -123.5 141.82 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.723 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.94 89.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.581 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -144.33 152.2 53.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.505 0.193 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.56 128.61 12.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.552 2.168 . . . . 0.0 112.28 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 t -96.76 -89.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -98.7 -36.02 9.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.515 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HB2' ' HB3' ' A' ' 35' ' ' GLN . 7.1 p30 -60.33 146.18 45.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.791 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -55.34 176.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.389 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.63 -22.88 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.391 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -63.63 -61.04 2.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . 35.1 tt0 -91.35 134.33 34.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.724 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -118.43 160.78 21.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -111.79 110.74 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.287 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.18 149.79 50.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 0.0 111.703 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.99 136.69 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.925 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 82.6 mt -121.7 129.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.089 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.46 145.31 28.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.592 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.34 142.38 42.77 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.583 ' HD3' HD12 ' A' ' 113' ' ' LEU . 29.4 Cg_endo -62.5 173.98 3.12 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.48 2.12 . . . . 0.0 112.315 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -81.59 129.83 34.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.26 26.44 23.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.5 p -135.25 158.49 74.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.396 0.141 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HB2' HG11 ' A' ' 141' ' ' VAL . 17.0 Cg_exo -66.73 -1.42 5.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.444 2.096 . . . . 0.0 112.249 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.2 -9.91 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.65 -39.27 67.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.789 0.328 . . . . 0.0 110.988 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -85.35 -21.61 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.976 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.88 169.23 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.987 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -132.85 137.1 46.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -133.01 133.51 43.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 54' ' ' LYS . 10.9 mptt -114.32 139.82 49.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.134 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.77 155.72 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.94 141.67 34.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.509 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.33 109.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.587 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -89.5 123.78 33.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -100.71 163.86 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.9 p -127.78 151.99 48.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.64 9.48 9.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -60.63 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 66' ' ' LYS . 99.0 m-85 -144.27 152.55 54.35 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.43 -12.64 34.22 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.599 2.199 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -117.42 4.8 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.11 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 63' ' ' TYR . 23.2 tptm -74.44 130.88 81.16 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -47.02 109.15 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.478 2.118 . . . . 0.0 112.396 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.0 -172.0 0.78 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.424 2.083 . . . . 0.0 112.524 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.6 m -130.79 135.03 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.4 146.8 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -162.9 148.18 11.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -75.21 139.76 42.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.74 -31.65 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.803 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 m -96.09 124.33 40.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.76 109.17 5.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.539 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' A' ' 144' ' ' ILE . 25.8 mmt -133.91 163.94 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.187 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.515 ' H ' HG21 ' A' ' 144' ' ' ILE . 45.3 t80 -85.01 129.26 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.642 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -135.67 157.46 76.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.179 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.406 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 30.8 Cg_endo -62.96 -28.54 75.14 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.616 2.211 . . . . 0.0 112.23 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -147.72 119.62 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.1 p -153.55 146.51 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -87.11 172.53 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.94 -25.69 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -88.46 -11.2 46.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.74 -0.29 60.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.464 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.3 m -66.6 167.02 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.781 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.1 mp -105.34 143.52 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.2 t -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.26 153.95 51.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -63.15 -22.95 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.6 mt -71.69 -33.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' HB3' HE22 ' A' ' 93' ' ' GLN . 56.6 tp -59.06 -25.39 63.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.464 HE22 ' HB3' ' A' ' 92' ' ' LEU . 2.2 mp0 -82.98 -169.26 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.18 -0.21 18.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -72.3 -11.44 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.058 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -61.23 127.24 30.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.762 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 m -99.0 138.43 20.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.767 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.42 2.6 7.14 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.437 2.091 . . . . 0.0 112.375 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.7 m -81.55 -39.98 23.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -75.92 174.2 10.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.06 -175.74 2.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.208 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.14 -27.77 42.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -56.23 -32.67 64.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -61.22 -35.4 77.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.84 -32.44 40.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.723 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -70.33 -43.98 69.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.7 p -73.9 -27.28 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.232 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -60.5 -47.46 86.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.9 mt -72.52 -34.77 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.54 HE21 HG13 ' A' ' 24' ' ' VAL . 33.0 tt0 -57.88 -43.99 86.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -70.24 -29.64 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.1 tm? -58.21 -38.54 76.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.145 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' HD3' ' A' ' 43' ' ' PRO . 2.7 mt -59.76 -43.2 94.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.9 -53.66 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.43 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -154.74 112.59 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.153 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.32 177.68 7.58 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.308 2.005 . . . . 0.0 112.281 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.551 HD22 ' H ' ' A' ' 119' ' ' ASN . 0.2 OUTLIER -104.35 109.86 63.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.568 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.83 -7.41 11.21 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.4 2.067 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.551 ' H ' HD22 ' A' ' 117' ' ' ASN . 7.1 t30 -74.58 101.14 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.687 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.8 t 56.7 75.07 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -78.86 149.57 23.14 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.517 2.145 . . . . 0.0 112.349 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.19 -41.8 40.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.733 HD22 ' H ' ' A' ' 126' ' ' ALA . 4.6 t30 -112.06 93.3 4.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.6 p -64.55 -27.4 68.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.783 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.422 ' HB3' HD21 ' A' ' 123' ' ' ASN . 20.7 tp60 -59.61 -48.2 82.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.245 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.733 ' H ' HD22 ' A' ' 123' ' ' ASN . . . -72.92 -46.99 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.48 -34.27 64.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.263 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.96 -50.57 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -57.33 -27.01 61.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -61.66 -34.7 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -104.01 -11.49 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.194 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.69 -73.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.064 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -121.49 106.17 11.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.4 -27.47 61.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.794 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -29.72 67.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -81.42 -28.94 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -78.9 -45.64 20.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.404 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.18 -40.11 76.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.273 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.43 -32.37 73.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -72.66 -30.56 64.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 47' ' ' PRO . 87.3 t -72.83 -54.19 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.507 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.0 m -62.65 -30.38 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.432 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.06 -53.55 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.574 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.515 HG21 ' H ' ' A' ' 77' ' ' PHE . 45.3 pt -64.19 -35.46 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.621 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -70.59 -38.93 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.224 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -36.16 72.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.41 -40.16 95.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.433 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.4 t -105.38 16.6 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.127 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -80.8 -42.1 22.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.862 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -137.77 122.61 18.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.31 -24.92 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.929 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.657 0.265 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m 59.65 103.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.24 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -142.15 154.96 65.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.382 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.57 -31.48 60.09 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.75 2.3 . . . . 0.0 112.544 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . . . -71.64 -43.87 65.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.309 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.4 -30.04 70.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 41.7 mmt180 -70.57 -35.96 73.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -71.0 -30.76 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.15 -43.54 98.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.358 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.467 ' HE2' ' HA ' ' A' ' 7' ' ' ARG . 70.4 mtm -57.92 -31.9 67.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.719 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.545 ' HD2' ' HE3' ' A' ' 14' ' ' LYS . 20.0 mmm180 -72.57 -33.26 66.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.2 -35.59 78.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -60.59 -50.13 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.5 OUTLIER -63.6 -37.61 87.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.194 0.521 . . . . 0.0 109.978 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -63.8 -27.69 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 tp -75.66 -51.36 12.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.631 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 14' ' ' LYS . 28.4 pt20 -61.07 -28.23 68.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.802 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.27 -22.89 35.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -165.7 81.42 1.12 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -82.45 151.42 15.32 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.693 2.262 . . . . 0.0 112.128 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.7 133.06 21.35 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.29 1.993 . . . . 0.0 112.017 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.56 135.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 111.261 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 97.97 -18.62 56.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -144.85 164.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.806 0.336 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -144.22 151.14 39.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.86 88.23 0.11 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.689 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.86 154.22 70.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.11 106.9 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 m -86.26 -83.21 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -105.42 -21.39 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -76.19 145.63 39.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -63.31 -172.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -58.48 -28.65 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.23 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.514 ' HG3' ' H ' ' A' ' 35' ' ' GLN . 6.2 ptt? -62.15 -62.95 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' H ' ' HG3' ' A' ' 34' ' ' MET . 6.4 mp0 -95.05 143.03 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 111.309 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -123.28 147.43 46.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.626 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -100.43 114.4 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.89 149.18 51.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.318 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.3 t -133.47 132.48 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.5 mt -117.58 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -100.61 140.71 34.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.595 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.24 142.35 42.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.34 160.56 30.71 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.471 2.114 . . . . 0.0 112.006 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -75.6 116.23 16.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.02 6.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 70.0 p -135.56 159.49 71.32 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.313 0.102 . . . . 0.0 110.937 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 36.2 Cg_endo -65.45 0.09 3.15 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.266 1.977 . . . . 0.0 112.388 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -103.35 -13.85 16.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -28.2 64.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.923 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -85.09 -23.34 28.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.1 172.57 28.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.753 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -137.01 116.41 12.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -101.05 159.91 14.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.957 0.408 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -139.72 150.72 45.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.625 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD23 HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -154.74 159.48 40.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.187 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 p -116.9 149.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -122.92 110.22 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.742 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.82 123.87 38.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -103.17 152.85 20.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.5 p -115.39 149.05 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 12.2 pt-20 -83.08 10.2 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.35 -77.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -142.84 154.52 62.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 4.4 2.63 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.392 2.061 . . . . 0.0 112.511 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -131.76 1.17 3.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.5 tmtt? -65.25 136.67 96.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 85.8 Cg_exo -46.06 119.04 2.69 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.455 2.103 . . . . 0.0 112.608 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.56 -177.27 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.431 2.088 . . . . 0.0 112.7 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -131.13 114.95 15.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG11 HD11 ' A' ' 109' ' ' ILE . 67.3 t -134.01 139.91 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.406 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -171.31 138.28 1.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -66.32 125.94 27.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.7 mt -68.82 -31.16 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.575 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.3 t -94.73 156.04 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.694 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.83 126.29 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.17 164.33 30.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -133.17 126.52 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -138.36 155.38 73.99 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -59.53 -16.57 36.72 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.441 2.094 . . . . 0.0 112.177 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -145.85 119.03 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -154.41 152.04 10.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -95.07 178.64 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.733 0.301 . . . . 0.0 110.807 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.96 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.17 -15.06 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.17 -3.45 64.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -60.98 156.4 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.612 0.244 . . . . 0.0 110.968 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.409 HD13 HG12 ' A' ' 70' ' ' VAL . 4.4 mp -82.48 134.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.2 t -81.98 94.53 7.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.76 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.55 158.12 44.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.684 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 59.6 mt -64.99 -38.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.01 -2.88 11.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -100.89 -162.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.774 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -75.14 -1.2 22.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -78.77 -7.43 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 37.8 t-105 -61.28 137.18 58.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.6 m -116.44 130.51 24.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.743 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.1 -9.36 21.45 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.1 m -72.82 -42.41 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.234 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -66.2 173.0 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -124.63 -171.57 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.357 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.76 -22.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.443 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -67.71 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.034 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -55.01 -52.43 63.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 tp -59.46 -42.12 86.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.01 -47.65 84.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.742 0.306 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.1 p -70.2 -27.25 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.408 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -67.19 -45.7 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.136 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.48 HD11 HG11 ' A' ' 70' ' ' VAL . 56.5 mt -72.98 -36.26 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.42 HE22 ' HA3' ' A' ' 23' ' ' GLY . 57.1 tt0 -61.04 -43.95 98.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.656 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.3 p -67.81 -28.84 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 112' ' ' LEU . 1.4 tm? -60.24 -31.91 70.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.026 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.97 -46.28 68.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.787 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.437 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 23.4 t70 -63.37 -68.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.072 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 43.0 mt-10 -135.7 96.84 13.11 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' HA ' HD22 ' A' ' 112' ' ' LEU . 40.6 Cg_endo -67.33 171.63 11.35 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.452 2.101 . . . . 0.0 112.315 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.572 HD22 ' HD2' ' A' ' 118' ' ' PRO . 2.5 t-20 -112.27 115.6 49.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.572 ' HD2' HD22 ' A' ' 117' ' ' ASN . 72.6 Cg_endo -76.9 26.36 0.44 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.535 2.156 . . . . 0.0 112.794 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -60.55 -43.19 97.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.2 m -146.02 100.93 4.2 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.06 121.92 7.98 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.365 2.044 . . . . 0.0 112.531 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -91.08 -40.72 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -118.14 96.8 5.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.454 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.8 p -67.28 -26.67 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.376 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.26 -48.5 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.212 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.13 -54.03 44.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.643 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.77 73.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.878 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.04 -40.85 82.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.224 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.23 -26.82 66.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -61.08 -36.65 80.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.17 -18.83 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.326 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.14 -78.68 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -115.95 94.32 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.691 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.49 -24.2 63.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -70.82 -30.84 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.26 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.93 -28.34 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -76.31 -44.48 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.97 -40.54 98.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.286 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -64.81 -31.63 72.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -69.78 -37.32 76.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -43.41 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.1 t -62.62 -30.36 71.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.36 -56.28 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.468 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.0 pt -61.26 -33.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.433 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.431 HG13 ' HA3' ' A' ' 51' ' ' GLY . 52.7 t -74.25 -38.0 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.06 -39.18 83.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.134 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.96 -32.5 72.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.4 t -104.64 16.4 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.625 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.16 108.87 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.833 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -80.74 109.1 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -136.88 122.91 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.858 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -147.75 152.89 38.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -165.23 164.74 12.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.043 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -80.9 -30.85 1.57 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.427 2.085 . . . . 0.0 112.119 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.65 -33.68 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.581 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG3' HG21 ' A' ' 33' ' ' ILE . 72.3 ttt180 -70.4 -43.41 70.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.731 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -58.53 -44.64 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.218 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 4.2 mmp_? -59.36 -40.47 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -59.38 -36.77 76.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 59.3 mtt -58.54 -34.54 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -74.94 -28.84 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -73.33 -39.99 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.823 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -65.98 -45.94 79.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.694 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -54.4 -38.41 66.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.021 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -79.1 -25.37 43.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -70.35 -46.71 63.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -68.49 -34.57 76.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.404 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -78.43 -34.1 48.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -150.23 81.6 6.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.628 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' HA ' HD13 ' A' ' 16' ' ' LEU . 47.0 Cg_endo -68.62 156.13 66.56 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.556 2.171 . . . . 0.0 112.284 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB2' HG23 ' A' ' 24' ' ' VAL . 27.1 Cg_exo -61.8 154.18 62.67 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.507 2.138 . . . . 0.0 112.179 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.71 121.24 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.159 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.98 -36.8 3.6 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.127 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.55 HG23 ' HB2' ' A' ' 21' ' ' PRO . 19.6 m -121.51 145.62 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.804 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.1 m -132.06 133.56 44.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.03 124.2 2.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.522 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.91 151.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.434 0.159 . . . . 0.0 111.006 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.6 124.44 10.74 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.407 2.071 . . . . 0.0 112.12 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.7 p -65.42 -70.34 0.24 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.022 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -173.45 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -65.98 99.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.251 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 56.12 -167.97 0.1 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.589 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 HG21 ' HG3' ' A' ' 6' ' ' ARG . 20.2 tt -114.2 -7.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -80.81 -40.13 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -86.89 111.72 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -117.79 134.85 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -100.57 117.02 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.27 150.25 42.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.55 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -117.39 112.57 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.001 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.0 mt -104.66 134.73 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -109.37 141.61 41.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.16 143.56 48.64 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.413 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HG2' HG21 ' A' ' 46' ' ' THR . 37.9 Cg_endo -66.07 178.02 2.7 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.235 1.957 . . . . 0.0 112.216 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.83 132.1 34.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.45 24.19 26.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.268 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' HG2' ' A' ' 43' ' ' PRO . 41.1 p -131.27 157.43 78.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.407 0.146 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 49.4 Cg_endo -68.41 5.39 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.315 2.01 . . . . 0.0 112.455 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -111.6 -10.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.98 -26.59 60.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.474 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.02 -44.48 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.539 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.96 178.24 45.03 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.135 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.4 p -131.67 162.31 30.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 110.733 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -140.65 153.97 46.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.961 0.41 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.32 127.77 40.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -132.15 164.31 26.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.3 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.89 138.61 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -111.71 109.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.24 145.1 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -123.36 149.56 44.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.614 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.2 m -95.96 133.86 39.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.857 0.36 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.08 -5.63 18.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.09 151.3 48.19 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.657 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 59.0 Cg_endo -71.51 0.77 6.39 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.405 2.07 . . . . 0.0 112.246 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -99.13 -32.7 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -56.63 153.12 22.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.26 124.33 10.78 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.63 2.22 . . . . 0.0 112.423 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.79 169.81 21.02 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.429 2.086 . . . . 0.0 112.203 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.0 m -117.46 112.06 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.14 137.91 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -156.4 147.65 22.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -68.63 144.02 54.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.09 -43.0 13.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.5 t -90.38 170.48 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.55 132.87 55.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.81 161.91 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -150.58 112.37 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.703 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.18 158.13 64.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.06 -21.04 48.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.541 2.161 . . . . 0.0 112.284 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -145.98 118.6 8.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.414 HG12 HD22 ' A' ' 123' ' ' ASN . 8.2 p -154.62 152.72 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 158.1 28.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.711 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.37 -19.83 65.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.307 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.73 -1.57 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.86 -8.43 73.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.6 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -58.64 150.22 23.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.794 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.2 mt -84.68 130.93 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.4 t -88.13 100.39 12.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -126.56 145.4 50.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' H ' HD13 ' A' ' 89' ' ' LEU . 11.5 m-20 -72.28 -21.28 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.517 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.9 tt -69.86 -27.02 31.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.27 -14.54 59.73 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -76.4 -159.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -66.26 -7.08 16.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -75.36 -14.13 60.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -60.6 146.58 44.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.899 0.38 . . . . 0.0 111.093 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.439 ' HB3' ' HD1' ' A' ' 100' ' ' TYR . 24.0 t -142.84 146.64 38.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.629 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.33 -9.04 13.93 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.409 2.073 . . . . 0.0 112.077 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -77.91 -50.75 11.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.306 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HD1' ' HB3' ' A' ' 97' ' ' SER . 53.3 m-85 -55.06 141.27 35.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.675 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -114.29 -172.09 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.65 -28.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.272 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 21' ' ' PRO . 47.7 t -68.66 -33.8 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.9 m -72.96 -51.8 16.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -31.92 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.4 -41.91 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 111.184 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 59.6 p -73.77 -27.2 61.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.9 m -62.21 -46.39 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.28 -39.99 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -65.82 -34.51 78.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 54.4 m -71.13 -29.23 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.644 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.47 -27.62 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.596 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.48 -43.31 49.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -61.13 -53.75 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.858 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.19 108.81 3.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.74 -175.16 0.85 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.163 1.909 . . . . 0.0 112.301 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.88 152.04 65.16 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.02 -8.36 15.45 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.695 2.264 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.58 177.73 7.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.144 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.1 t -66.16 126.31 91.73 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.817 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.18 169.38 22.59 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.326 2.017 . . . . 0.0 112.53 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.38 -30.63 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.414 HD22 HG12 ' A' ' 81' ' ' VAL . 45.6 t-20 -97.18 85.25 3.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.394 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -61.37 -30.13 70.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.581 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.5 -33.25 75.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.08 -52.69 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.68 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.01 76.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.416 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.33 -44.64 82.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.6 mt -72.11 -32.93 67.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.326 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.81 -28.18 68.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.629 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -99.04 -35.79 9.92 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.04 -81.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.484 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -104.48 99.58 9.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.55 -24.54 63.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -62.79 -30.82 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.73 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -78.11 -27.72 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -76.51 -45.48 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 141' ' ' VAL . 11.5 pt-20 -62.37 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -67.77 -32.12 72.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -75.99 -52.9 9.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.41 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 138' ' ' GLU . 9.0 p -57.31 -35.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -70.65 -33.73 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -56.28 9.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.2 pt -57.2 -36.05 50.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.4 t -67.75 -40.71 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.192 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 43.3 mt-10 -67.88 -36.08 79.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.08 -36.75 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.006 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 33.2 t -104.09 12.98 33.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . 0.524 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.2 OUTLIER -82.26 2.05 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.77 157.49 21.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.04 124.33 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.853 179.861 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttp . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -139.52 157.69 45.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -170.17 164.71 5.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -81.09 -31.47 1.29 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.522 2.148 . . . . 0.0 111.957 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.73 -33.83 75.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' H ' ' CG2' ' A' ' 3' ' ' THR . 51.6 ttp180 -64.56 -52.92 55.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -61.06 -31.07 70.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -62.42 -47.72 82.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.9 mt -58.76 -30.23 67.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 58.8 mtt -70.59 -29.73 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.24 -30.88 60.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.027 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -70.13 -33.87 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -76.93 -46.09 25.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.07 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -53.47 -40.75 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.588 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.45 -26.24 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.313 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HG ' ' HD3' ' A' ' 21' ' ' PRO . 7.7 tt -73.47 -31.37 63.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.753 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -68.41 -42.39 79.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.58 -21.13 60.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.138 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -156.57 86.57 2.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.22 147.36 72.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.546 2.164 . . . . 0.0 112.16 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HG ' ' A' ' 16' ' ' LEU . 23.7 Cg_exo -63.95 153.73 74.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.346 2.03 . . . . 0.0 112.024 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.72 124.24 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 91.51 -31.01 6.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.757 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG13 ' NE2' ' A' ' 110' ' ' GLN . 35.2 m -132.67 147.83 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 111.348 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.0 m -137.36 133.28 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.674 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.79 124.49 3.82 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.632 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.59 145.2 17.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.369 0.128 . . . . 0.0 110.797 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.34 99.86 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.285 1.99 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -108.63 136.58 47.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.763 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 62.86 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.16 146.15 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.859 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -59.27 -174.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.066 0.46 . . . . 0.0 111.454 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -57.76 -19.46 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.56 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mtp -57.87 -66.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -93.06 135.52 34.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.011 0.434 . . . . 0.0 111.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 m0 -113.9 133.23 55.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -100.63 114.81 28.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.46 150.47 43.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.9 t -122.62 122.13 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.423 HG23 HG12 ' A' ' 24' ' ' VAL . 83.5 mt -109.27 133.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -106.47 132.91 51.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 147.78 26.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.548 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.2 Cg_endo -69.63 -171.73 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.435 2.09 . . . . 0.0 112.128 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.93 162.74 15.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.02 0.438 . . . . 0.0 111.274 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.3 30.75 64.92 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.722 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.9 p -135.81 153.27 77.11 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.441 0.163 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.9 -2.56 8.89 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.468 2.112 . . . . 0.0 112.281 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -101.4 -10.03 20.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.579 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.17 -29.59 67.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.106 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -85.33 -28.0 25.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.43 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -100.64 174.66 25.96 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.87 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.0 p -134.35 149.4 50.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.706 0.289 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -130.2 123.2 29.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.8 mppt? -98.46 147.58 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.642 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.54 160.16 43.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.1 p -121.26 138.56 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.368 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -107.09 109.79 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -90.96 125.48 35.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.006 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.66 147.12 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -117.07 123.78 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.669 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.38 88.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -134.93 -79.35 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.995 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -144.76 157.67 54.54 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.21 4.51 2.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.397 2.065 . . . . 0.0 112.425 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -127.13 -3.71 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.62 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 26.9 tptp -65.29 129.76 94.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.762 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -60.1 113.3 1.6 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.457 2.104 . . . . 0.0 112.389 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.01 179.57 2.23 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.586 2.19 . . . . 0.0 112.403 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -130.04 118.53 21.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.58 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.431 HG23 HG13 ' A' ' 57' ' ' ILE . 13.3 p -122.08 147.41 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.502 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -161.14 147.04 14.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -70.49 151.61 44.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.1 mt -86.65 -39.56 15.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -92.66 163.99 13.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -72.33 117.64 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.3 162.85 18.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -139.49 109.95 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.735 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -127.75 158.76 69.27 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.74 -17.51 36.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.668 2.246 . . . . 0.0 112.777 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -144.97 119.99 10.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.251 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.53 151.4 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -86.95 171.46 10.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.58 3.38 47.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.723 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.71 4.24 89.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.415 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -64.86 169.6 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.351 . . . . 0.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.8 mp -100.19 143.05 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -90.39 104.87 17.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.51 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.54 141.86 45.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' H ' HD13 ' A' ' 89' ' ' LEU . 16.2 m-20 -75.31 -12.08 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.274 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 89' ' ' LEU . 19.1 tt -72.2 -33.25 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.796 0.332 . . . . 0.0 110.703 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.78 -18.4 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -73.08 -162.54 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -68.15 -4.49 13.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -77.33 -0.68 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -78.41 144.17 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.018 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.5 m -133.87 145.89 57.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.523 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.57 -6.17 17.85 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.597 2.198 . . . . 0.0 112.776 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 t -79.23 -26.15 42.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.602 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -78.89 174.02 11.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.11 -176.71 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.91 -23.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -65.83 -32.43 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.1 t -65.97 -51.26 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.78 72.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.041 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.23 -44.24 97.58 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.5 p -74.5 -29.32 61.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.1 m -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.954 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.81 -34.89 70.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.524 HE22 ' HA3' ' A' ' 23' ' ' GLY . 26.4 tt0 -61.22 -33.52 73.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -69.78 -29.31 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.14 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.42 -33.65 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.477 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -64.87 -42.84 94.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.98 -52.83 62.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.856 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -159.54 114.17 1.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.52 -174.14 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.274 1.983 . . . . 0.0 112.099 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -106.06 105.91 55.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.77 23.74 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.568 2.179 . . . . 0.0 112.934 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -89.49 -58.44 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.2 p -121.1 82.98 37.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.0 138.75 84.06 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.524 2.149 . . . . 0.0 112.11 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -99.82 -30.48 12.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -121.86 102.12 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.5 p -65.18 -28.7 69.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -71.12 -53.39 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.26 71.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.52 72.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.23 -50.03 73.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.026 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.42 -27.22 67.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -70.48 -28.63 65.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -103.88 -11.3 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.326 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -102.39 -83.75 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.548 HD22 ' N ' ' A' ' 133' ' ' ASN . 0.8 OUTLIER -104.22 100.79 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.69 -29.6 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -63.49 -29.54 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.6 -30.49 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -72.96 -44.71 60.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.2 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.79 -41.14 97.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -63.36 -37.14 86.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -64.63 -31.87 73.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.406 . . . . 0.0 110.385 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.3 -42.73 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.769 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.4 m -66.47 -30.34 70.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.58 -55.89 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.481 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.5 pt -60.61 -32.04 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.865 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.3 t -76.53 -39.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -67.43 -38.95 85.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -66.8 -25.28 66.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.5 m -94.06 1.52 56.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . 0.475 ' HE1' ' HA2' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -92.35 -179.19 5.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.064 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.93 90.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -140.83 -10.63 1.02 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.748 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.328 -0.844 . . . . 0.0 111.128 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.9 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.711 0.291 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -87.25 158.45 19.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -119.87 156.49 54.12 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.27 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.69 -32.03 92.69 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.38 -38.09 86.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -64.21 -39.48 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.61 -31.72 72.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -77.46 -34.28 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.115 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.43 -34.07 73.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.777 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.6 mtp -69.72 -49.23 55.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -65.23 -28.38 69.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.586 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.86 -52.82 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.04 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.707 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.04 -45.05 91.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -79.03 -25.9 43.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.21 -36.12 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.82 -36.43 80.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.197 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.26 -36.9 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -164.2 85.18 1.21 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.87 153.83 58.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.33 2.02 . . . . 0.0 112.202 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.48 147.05 80.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.638 2.225 . . . . 0.0 112.148 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.98 140.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.04 -2.89 79.29 Favored Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.881 -0.675 . . . . 0.0 112.385 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 106' ' ' LEU . 7.8 p -160.6 141.88 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -129.14 147.68 51.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.167 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.69 93.6 0.14 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.325 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.72 154.5 51.98 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.558 0.218 . . . . 0.0 111.259 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 124.3 8.14 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.565 2.177 . . . . 0.0 112.238 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -88.24 -81.29 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.0 -30.55 5.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.758 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -57.42 146.26 30.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.703 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -51.34 164.97 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.2 tt -53.22 -28.88 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.499 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.0 ptp -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -115.85 124.94 51.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 111.415 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -113.81 157.46 22.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.9 111.5 21.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.587 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.697 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -126.73 149.34 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.47 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 54' ' ' LYS . 45.9 t -132.04 125.05 54.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.678 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.43 135.69 43.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -111.3 128.36 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -53.72 145.87 23.23 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.751 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.54 165.44 32.48 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.359 2.039 . . . . 0.0 112.028 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.24 117.74 14.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.751 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.72 28.6 3.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -140.54 158.51 65.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.392 0.139 . . . . 0.0 110.978 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.27 -4.67 12.17 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.42 2.08 . . . . 0.0 112.147 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -105.3 -6.49 19.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.9 -33.47 64.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.15 -38.83 18.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.12 172.03 53.88 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.996 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -132.11 148.88 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.703 0.287 . . . . 0.0 110.79 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -136.13 148.53 48.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.895 0.379 . . . . 0.0 111.252 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' HG22 ' A' ' 39' ' ' VAL . 66.8 mttm -126.71 142.46 51.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.786 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.0 164.29 30.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.27 141.67 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.486 HD11 HD23 ' A' ' 55' ' ' LEU . 4.0 mp -124.84 109.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.753 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.94 127.08 52.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -104.02 148.31 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.3 t -97.27 152.31 19.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -79.7 -3.44 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.51 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.063 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.602 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 89.2 m-85 -147.83 146.0 22.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.704 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 63' ' ' TYR . 27.5 Cg_exo -62.44 -12.79 29.37 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.417 2.078 . . . . 0.0 112.272 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -89.44 -22.68 22.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.602 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 14.7 mmmm -58.64 152.49 46.21 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.937 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.412 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 43.4 Cg_endo -67.98 121.08 8.08 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.367 2.045 . . . . 0.0 112.036 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.72 -174.57 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.367 2.045 . . . . 0.0 112.577 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.9 m -131.54 112.74 12.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.263 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 109' ' ' ILE . 99.8 t -128.44 137.94 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 111.439 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -167.19 128.17 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.11 126.41 27.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.28 -38.28 83.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.9 m -92.28 177.92 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -81.97 151.99 26.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.652 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -158.9 164.01 36.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.109 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.497 ' HB3' HD13 ' A' ' 144' ' ' ILE . 86.7 t80 -136.06 108.0 7.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.478 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -123.97 158.66 59.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.3 -18.03 35.88 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.581 2.187 . . . . 0.0 112.816 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -151.62 119.11 6.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.5 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.2 p -154.45 144.1 13.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.642 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.13 166.04 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.294 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.77 81.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.355 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.63 -2.58 36.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.31 -6.01 78.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 149.58 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.81 144.9 8.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -88.29 112.95 23.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -120.1 160.72 22.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -95.02 -16.56 22.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.123 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.39 -34.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.17 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.88 -10.21 8.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.172 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -77.29 -164.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.793 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -63.11 -12.76 29.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -75.11 -3.34 32.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -70.74 147.08 49.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.123 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 66.3 m -144.01 144.12 25.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.512 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 24.3 Cg_exo -63.14 -7.69 12.46 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.454 2.103 . . . . 0.0 112.377 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.9 m -76.48 -43.57 39.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -55.74 135.5 51.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.071 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.98 -174.21 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.993 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 106' ' ' LEU . 14.1 p -60.89 -22.17 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.056 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.748 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.9 t -60.65 -52.08 66.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.754 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 109' ' ' ILE . 2.9 tp -60.88 -40.08 84.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.662 0.268 . . . . 0.0 111.506 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 38' ' ' ALA . 4.2 mm? -63.45 -43.97 95.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.741 0.305 . . . . 0.0 111.22 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.1 p -74.46 -27.82 60.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.57 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.0 m -68.55 -48.28 64.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.473 HD11 HD11 ' A' ' 105' ' ' ILE . 77.1 mt -62.94 -39.01 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 110.759 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.61 -31.45 72.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.426 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.2 m -71.54 -29.34 64.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.809 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.9 -32.19 65.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.947 0.403 . . . . 0.0 110.562 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.546 HD12 ' HA2' ' A' ' 42' ' ' GLY . 2.5 mt -72.0 -43.28 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.244 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.428 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -118.08 94.8 47.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.377 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.49 -14.81 5.2 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.7 2.267 . . . . 0.0 112.891 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -127.81 103.91 21.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.23 22.13 0.95 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.6 2.2 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 61.52 11.65 3.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.108 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.2 m -154.27 75.08 5.99 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.81 145.78 29.13 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.554 2.169 . . . . 0.0 112.585 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.78 -25.38 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.432 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -115.74 99.42 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.684 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.1 m -64.39 -35.64 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -66.8 -49.16 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.4 -49.36 67.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.453 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.37 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.596 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -56.7 -42.96 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.443 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.03 -27.21 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.5 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -69.42 -32.91 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.566 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -97.63 -7.8 30.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.462 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -101.46 -80.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -109.44 105.94 15.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.321 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -73.3 -29.56 62.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -65.49 -30.13 70.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.27 -35.58 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -69.47 -39.85 77.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.009 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.17 -34.92 71.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -74.93 -31.06 61.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -75.68 -43.85 45.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 145' ' ' VAL . 9.7 p -63.38 -35.11 71.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.042 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -30.34 66.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.745 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.71 -51.45 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 77' ' ' PHE . 43.6 pt -59.77 -31.88 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.178 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 141' ' ' VAL . 53.7 t -77.05 -39.38 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.02 -40.62 96.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.13 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.4 m -103.87 13.98 31.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -87.17 102.37 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.814 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -145.28 125.02 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.963 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.798 0.333 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -94.51 123.41 37.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -106.08 156.34 36.93 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.378 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.13 -26.82 57.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.542 2.162 . . . . 0.0 112.142 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.2 -43.62 67.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HE ' HG21 ' A' ' 33' ' ' ILE . 79.0 ttt180 -72.3 -27.61 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.576 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.52 -41.87 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -65.56 -38.35 89.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.1 mt -55.1 -31.31 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.9 mtp -66.63 -52.91 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -58.49 -29.86 66.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -73.23 -32.53 64.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.214 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.05 -56.79 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.252 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 4.7 mmtt -58.99 -33.09 70.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.008 0.433 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -63.08 -36.04 82.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.823 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -75.31 -33.39 61.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.002 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.13 -16.24 59.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -83.96 -42.29 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -151.13 85.32 5.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.35 145.34 88.13 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.501 2.134 . . . . 0.0 112.234 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB2' HG23 ' A' ' 24' ' ' VAL . 32.3 Cg_exo -58.46 141.82 97.48 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.668 2.245 . . . . 0.0 112.404 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.3 t -82.81 119.83 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.804 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.48 -24.34 31.25 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.409 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 21' ' ' PRO . 29.7 m -142.22 146.29 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.199 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.4 m -135.14 135.02 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.57 103.54 0.34 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.03 151.27 29.36 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.543 0.211 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.9 132.36 22.94 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.429 2.086 . . . . 0.0 112.266 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.7 p -94.56 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -133.24 -35.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -57.63 146.56 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.008 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -48.68 161.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.217 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.563 HG21 ' HE ' ' A' ' 6' ' ' ARG . 20.3 tt -53.3 -24.24 8.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.569 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 0.0 110.954 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.519 HE21 HG21 ' A' ' 56' ' ' VAL . 39.5 tt0 -114.47 132.04 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.3 m0 -115.59 179.74 3.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -135.93 109.46 7.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.11 149.2 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 111.606 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.61 128.13 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.558 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.407 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.5 mt -112.18 127.24 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.421 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -95.91 133.93 39.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.17 138.86 44.81 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.605 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.93 169.77 15.63 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.447 2.098 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -80.01 140.15 36.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.68 18.25 56.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.599 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -131.49 154.41 81.87 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.486 0.184 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.19 -5.63 14.2 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.456 2.104 . . . . 0.0 112.206 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.93 -5.06 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.676 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.52 -32.75 65.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.376 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -85.53 -45.07 12.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.49 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.71 119.79 5.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.837 -0.696 . . . . 0.0 113.085 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -85.98 157.29 20.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.999 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -127.02 143.95 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -111.99 143.62 42.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -149.92 157.03 42.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG21 HE21 ' A' ' 35' ' ' GLN . 5.8 p -117.05 140.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.497 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.96 109.79 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -87.84 134.33 33.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.9 162.34 17.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.722 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.6 p -132.43 154.58 49.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.81 14.75 6.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.18 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.325 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -142.91 152.94 60.09 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.7 -17.29 59.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.562 2.175 . . . . 0.0 112.27 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -102.67 -18.31 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.08 123.21 46.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.53 117.17 3.66 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.466 2.111 . . . . 0.0 112.161 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.53 -174.23 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.513 2.142 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -129.58 136.13 49.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG23 HG13 ' A' ' 57' ' ' ILE . 13.9 p -142.82 143.0 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.345 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -159.52 155.59 26.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.226 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -80.46 139.51 36.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.984 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.9 -26.05 27.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.141 0.496 . . . . 0.0 110.151 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -98.94 -169.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.734 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -92.85 133.93 35.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.625 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.55 153.66 41.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -131.8 113.03 13.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 78.3 m80 -129.54 158.6 72.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 126' ' ' ALA . 26.9 Cg_endo -62.3 -9.02 13.81 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.576 2.184 . . . . 0.0 112.619 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.497 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 22.4 p-10 -151.66 119.29 6.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 111.41 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.15 152.09 10.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.757 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -91.39 169.37 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.68 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.99 -10.99 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.575 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.35 8.94 62.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.9 m -74.21 169.34 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.735 0.302 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.2 mp -106.27 146.26 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.9 t -88.5 103.24 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' HB3' HG22 ' A' ' 91' ' ' ILE . 10.6 mp -113.32 121.66 45.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -64.59 -22.83 67.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' A' ' 89' ' ' LEU . 14.6 tt -73.26 -37.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.93 -12.95 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.202 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -71.45 -161.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -66.66 -2.17 4.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.487 ' N ' HD22 ' A' ' 94' ' ' ASN . 99.2 mtt180 -87.27 -4.39 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -66.72 146.22 54.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.81 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.8 m -139.66 148.21 54.94 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.721 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.52 -2.08 11.24 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.389 2.06 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.4 p -78.01 -31.67 50.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -73.4 -175.87 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.63 -178.51 5.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.1 p -63.61 -22.35 30.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -68.32 -32.11 72.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.5 m -67.76 -51.36 50.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.496 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -59.48 -32.9 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.968 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.24 -44.92 78.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.7 p -70.31 -27.38 64.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.4 t -61.74 -44.08 97.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.956 0.408 . . . . 0.0 110.832 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 54.6 mt -71.02 -34.99 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.19 -44.15 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -65.48 -29.23 69.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -55.72 -26.25 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 mt -85.51 -42.75 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.026 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -158.75 113.13 1.64 Allowed Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.56 -162.27 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.396 2.064 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -125.97 135.35 26.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.795 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.44 25.14 0.69 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.712 2.275 . . . . 0.0 112.729 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.5 -72.85 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.173 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.6 t -157.26 97.92 2.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.122 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.23 135.43 40.04 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.483 2.122 . . . . 0.0 112.205 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.98 -43.88 64.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.497 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 36.7 t-20 -90.87 102.73 15.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.2 p -70.82 -28.02 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.482 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -69.48 -47.64 63.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HB3' ' HA ' ' A' ' 79' ' ' PRO . . . -58.11 -45.87 86.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.38 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.38 -33.74 74.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.035 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.445 ' HA ' HE21 ' A' ' 131' ' ' GLN . 35.3 tt0 -68.22 -33.49 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.9 mt -71.93 -27.64 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -65.75 -33.71 76.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.36 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.445 HE21 ' HA ' ' A' ' 128' ' ' GLN . 27.2 pt20 -94.78 -23.93 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.505 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -90.16 -84.33 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.178 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 133' ' ' ASN . 0.9 OUTLIER -105.81 96.36 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -72.02 -21.39 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -70.71 -30.88 67.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.16 -27.38 53.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -75.88 -50.75 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.309 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.76 -40.94 80.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.23 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.74 -31.23 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -67.94 -36.16 79.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.86 -42.09 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 t -67.69 -30.3 69.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.53 -57.18 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.45 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 44.4 pt -57.58 -33.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.63 -37.43 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.972 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.12 -37.38 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.337 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -64.4 -32.13 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.992 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.6 t -105.34 10.68 33.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -88.34 -15.48 35.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.632 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -139.24 108.43 6.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.27 142.21 27.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.899 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.756 0.313 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -143.89 127.5 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -141.49 155.05 67.35 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.121 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.04 -36.05 84.15 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.444 2.096 . . . . 0.0 112.441 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.4 80.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -67.82 -39.36 83.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.88 -32.13 73.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HA ' ' HE ' ' A' ' 8' ' ' ARG . 4.2 mmp_? -62.84 -47.58 82.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.15 -31.03 51.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.63 -44.97 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -74.9 -28.21 60.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -70.23 -46.78 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -66.69 -42.84 85.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -55.04 -34.24 63.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.289 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -79.38 -25.82 42.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.02 -47.0 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.52 -27.34 62.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.65 -44.6 73.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.775 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -160.0 87.43 1.95 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.55 157.72 59.25 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.415 2.077 . . . . 0.0 112.04 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 24' ' ' VAL . 36.6 Cg_exo -60.5 152.57 67.08 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.384 2.056 . . . . 0.0 111.942 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.11 138.63 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.68 -2.78 66.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.641 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 21' ' ' PRO . 7.4 p -161.56 142.84 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.227 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.0 t -137.41 148.38 46.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -150.17 99.51 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.581 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.78 156.09 38.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 122.886 -0.184 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.2 122.29 8.25 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.292 1.995 . . . . 0.0 112.314 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 t -70.9 -77.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.35 -29.89 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -62.65 147.22 50.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.585 HD22 ' N ' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -48.84 168.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.285 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -55.62 -16.51 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.622 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.55 -60.37 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.037 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.639 HE22 ' HB2' ' A' ' 58' ' ' GLU . 6.4 tp60 -99.07 137.09 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.54 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.52 164.94 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -127.32 107.97 10.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.652 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.87 148.22 41.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.448 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.1 t -126.7 113.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.4 mt -104.85 133.88 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -105.91 134.65 48.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.73 144.5 34.28 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.576 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.24 -174.69 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -87.14 161.18 18.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.73 28.04 69.34 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.597 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.4 p -134.54 156.02 79.13 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.445 0.164 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 1.99 3.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.339 2.026 . . . . 0.0 112.013 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -108.82 -5.43 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.655 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.88 -34.32 69.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.77 -46.33 11.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 163.87 54.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.687 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -131.6 140.65 49.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.91 163.89 20.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.35 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -140.61 143.0 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.744 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.48 162.84 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.14 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.95 145.98 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.5 mp -125.79 111.22 26.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.639 ' HB2' HE22 ' A' ' 35' ' ' GLN . 42.8 tt0 -98.61 136.61 38.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.752 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -112.74 142.29 45.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -104.88 152.14 22.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.757 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.38 6.05 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.71 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -144.83 148.83 40.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.74 -25.21 78.47 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.427 2.085 . . . . 0.0 112.035 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -91.52 -18.76 23.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 67' ' ' PRO . 13.4 tmtt? -52.08 132.14 40.64 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.378 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' N ' ' HD3' ' A' ' 66' ' ' LYS . 10.3 Cg_endo -51.76 110.99 0.49 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.384 2.056 . . . . 0.0 111.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.39 -169.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.452 2.102 . . . . 0.0 112.639 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.4 m -131.23 118.49 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.29 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.591 HG11 HD11 ' A' ' 109' ' ' ILE . 92.3 t -134.76 138.31 49.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -165.56 145.01 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.84 132.25 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.8 mt -73.32 -38.76 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -88.66 169.65 11.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.65 125.71 27.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.78 163.7 29.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -143.17 110.6 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.629 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -127.66 155.89 76.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.02 -25.84 72.38 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.317 2.011 . . . . 0.0 112.161 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.4 m120 -128.9 118.04 22.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.805 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.9 t -152.69 135.27 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.655 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -85.94 174.48 9.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 111.059 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.41 77.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.53 1.64 25.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.68 4.64 81.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.422 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.94 164.48 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.683 0.278 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.85 137.61 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.5 t -85.43 105.06 15.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.58 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -127.41 140.39 52.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.459 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -64.51 -20.93 66.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.683 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.58 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.4 tt -67.34 -26.6 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.2 -9.11 54.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.195 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -76.45 -164.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.657 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.8 -7.98 32.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -72.81 -10.76 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.08 140.82 58.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 m -135.75 142.28 40.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.668 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.13 -2.36 6.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.539 2.159 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 65.2 m -76.92 -41.02 45.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -61.37 172.36 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -133.07 -171.46 2.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.46 -22.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 m -69.22 -32.09 71.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.024 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -62.11 -52.4 64.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.934 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.42 HG12 HG21 ' A' ' 70' ' ' VAL . 2.7 tp -59.17 -37.17 66.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.76 0.314 . . . . 0.0 111.359 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.538 HD11 ' HA3' ' A' ' 26' ' ' GLY . 72.8 mt -61.29 -57.97 10.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.122 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.9 p -59.97 -27.9 67.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.495 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.6 m -65.28 -48.18 74.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.591 HD11 HG11 ' A' ' 70' ' ' VAL . 57.5 mt -69.85 -39.24 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.221 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.73 -44.26 90.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.3 p -72.48 -29.71 63.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -60.21 -35.24 74.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 113' ' ' LEU . 6.5 mt -56.76 -36.9 70.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.32 -55.22 37.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -159.81 114.62 1.49 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.72 -162.47 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.293 1.996 . . . . 0.0 112.409 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -126.98 114.83 22.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.81 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.56 14.4 1.64 Allowed 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.422 2.081 . . . . 0.0 112.619 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -58.89 -51.59 69.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.9 m -133.32 84.03 48.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.674 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.404 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 51.0 Cg_exo -55.5 117.24 3.82 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.688 2.259 . . . . 0.0 112.495 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.43 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -81.5 -43.44 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -105.37 110.85 23.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.457 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 62.1 m -70.79 -27.37 63.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.608 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -69.42 -53.46 19.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.424 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.31 42.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.581 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.04 56.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.594 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.82 -36.21 64.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 0.0 111.349 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.8 -27.26 69.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.24 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -67.82 -32.33 72.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.642 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -98.4 -24.7 15.08 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.72 -80.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.25 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -106.35 92.58 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.32 -36.64 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.777 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -34.45 77.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -70.15 -27.53 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.773 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -75.99 -42.18 48.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.14 -45.66 84.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.158 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -60.7 -40.86 93.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -58.28 -37.89 75.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 145' ' ' VAL . 92.0 t -60.7 -44.47 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.4 m -62.47 -30.34 71.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.72 -56.97 5.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.577 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.6 pt -59.18 -35.33 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.469 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 55.1 t -70.42 -40.51 77.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -62.86 -42.16 99.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.295 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.48 -36.75 81.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 79.2 p -100.39 13.5 34.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.279 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 4.7 t90 -85.94 -51.15 6.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.751 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.64 102.33 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.253 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -100.31 -54.4 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.66 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.873 -179.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.718 0.295 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -158.81 153.26 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -170.77 165.37 5.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.968 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 10.0 Cg_endo -81.04 -34.77 0.55 Allowed 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 122.44 2.094 . . . . 0.0 112.095 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.57 -34.05 73.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -64.36 -52.88 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.151 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -58.31 -34.9 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.547 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 4' ' ' PRO . 29.5 mmt180 -57.46 -48.23 79.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.314 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.4 mt -56.48 -39.16 72.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.169 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.12 -31.47 72.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.457 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -75.01 -28.39 60.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -73.87 -37.04 64.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.59 -51.94 24.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -59.5 -31.63 69.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.673 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -79.76 -25.94 40.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.06 -46.83 88.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 14' ' ' LYS . 26.1 pt20 -65.71 -20.35 66.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.44 -40.74 66.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.976 0.417 . . . . 0.0 110.539 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -158.94 82.08 2.61 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.464 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.61 150.36 74.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.509 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 37.1 Cg_endo -66.88 141.69 59.79 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.385 2.057 . . . . 0.0 112.113 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -89.19 123.14 41.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.309 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.29 -5.13 55.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 21' ' ' PRO . 8.2 p -159.17 148.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -137.3 145.59 43.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.973 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -156.16 112.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.346 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.26 156.64 54.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.445 0.164 . . . . 0.0 111.172 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -68.94 130.1 19.72 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.486 2.124 . . . . 0.0 112.174 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -59.6 -72.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -172.24 -30.06 0.01 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -84.1 110.13 18.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.2 m120 56.6 -177.78 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.654 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 tt -113.21 -1.92 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -77.04 -50.1 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -83.73 121.5 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.019 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.1 m0 -122.31 135.87 54.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -100.09 122.68 43.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.12 150.32 51.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.45 122.29 59.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.23 130.33 56.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.56 149.44 24.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.72 142.8 37.01 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.784 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD3' HD12 ' A' ' 113' ' ' LEU . 40.2 Cg_endo -68.01 4.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 66.49 113.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.79 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.81 -3.73 17.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.048 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -110.97 161.34 25.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.61 ' HB2' HG11 ' A' ' 141' ' ' VAL . 18.2 Cg_exo -66.62 2.55 1.92 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.371 2.047 . . . . 0.0 112.247 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -109.93 -6.92 15.06 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.27 -26.03 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -83.59 1.87 40.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.299 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.66 145.1 16.36 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.667 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.0 p -100.95 157.49 16.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.676 0.274 . . . . 0.0 110.924 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.22 125.45 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -105.33 115.45 30.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.663 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -120.56 164.31 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.062 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.9 p -124.44 139.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -107.56 109.72 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.562 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.78 155.97 16.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.11 162.63 32.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.698 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -136.94 128.6 28.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.658 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.43 90.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -133.15 -76.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -143.69 154.66 59.65 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.758 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' ' 8' ' ' ARG . 41.2 Cg_endo -67.47 -3.82 10.81 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.439 2.093 . . . . 0.0 112.181 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -122.14 -4.78 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 48.4 tptt -60.43 130.43 89.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.691 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 36.2 Cg_endo -64.89 121.75 9.35 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.352 2.035 . . . . 0.0 112.188 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.27 -172.69 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.27 1.98 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.2 m -130.76 135.01 47.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 87' ' ' ILE . 15.0 p -139.93 146.91 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.402 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -159.02 160.91 36.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.45 ' CE2' HD12 ' A' ' 55' ' ' LEU . 62.8 m-85 -84.75 126.74 33.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt -60.66 -34.74 74.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.514 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.6 t -92.31 140.42 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.814 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -69.07 113.9 6.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 mmt -127.5 163.26 24.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.53 118.79 34.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.418 ' HB3' ' HD2' ' A' ' 79' ' ' PRO . 39.2 m80 -127.03 157.48 71.92 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -59.31 -19.54 51.1 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.416 2.077 . . . . 0.0 112.139 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -142.57 119.44 11.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.799 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -148.16 129.18 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -72.43 172.21 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.8 -25.69 66.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -94.4 8.5 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.33 10.36 84.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.6 t -68.21 169.47 10.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 70' ' ' VAL . 4.5 mp -98.86 134.94 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.15 102.88 12.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -136.37 139.6 42.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.743 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.7 -23.81 66.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -65.63 -28.46 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.934 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.6 tp -72.91 -17.42 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -79.73 -159.24 0.2 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -65.61 -6.18 10.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 6.3 tpm_? -72.74 -12.76 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.435 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 64.1 t-105 -67.56 144.94 55.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 59.5 m -134.83 147.69 63.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.767 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 15.6 Cg_exo -68.54 -5.22 14.69 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.701 2.267 . . . . 0.0 112.504 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 74.9 p -79.07 -44.12 22.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.424 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -59.37 167.57 1.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -136.27 -171.62 2.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' O ' HG22 ' A' ' 105' ' ' ILE . 76.3 t -58.33 -24.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.624 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.7 m -70.26 -32.51 70.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.747 0.308 . . . . 0.0 111.2 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.9 t -73.29 -47.0 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.605 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -58.93 -36.04 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.251 -179.485 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.485 HD11 ' HA3' ' A' ' 26' ' ' GLY . 42.2 mt -66.78 -47.92 70.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.8 p -66.4 -27.97 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.2 m -62.57 -48.62 78.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -67.2 -38.93 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.95 -31.86 73.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.41 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -68.01 -28.84 67.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 tp -57.73 -25.15 59.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.484 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -78.47 -42.61 29.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.492 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.02 -44.17 96.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.981 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.45 113.75 1.53 Allowed Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.992 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -68.63 -171.41 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.378 2.052 . . . . 0.0 112.218 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.622 HD21 ' HB3' ' A' ' 119' ' ' ASN . 7.4 t30 -124.33 103.65 32.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.729 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.28 20.42 1.24 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.7 2.266 . . . . 0.0 112.53 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.622 ' HB3' HD21 ' A' ' 117' ' ' ASN . 2.8 t-20 -96.68 -19.58 18.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.0 m -154.91 87.33 3.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.18 134.36 8.0 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.478 2.119 . . . . 0.0 112.481 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -89.64 -25.62 21.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -120.96 109.44 15.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.571 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.7 p -68.54 -33.3 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -70.2 -47.82 59.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.001 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' ' 79' ' ' PRO . . . -57.04 -53.84 53.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.59 73.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.036 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -68.47 -30.05 68.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.96 -11.13 17.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.506 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -98.19 -78.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.936 0.398 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -109.78 103.55 12.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -71.46 -21.66 61.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.697 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -70.85 -38.49 73.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.25 -27.81 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -74.58 -50.03 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.15 -37.93 75.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 111.245 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.96 -30.32 71.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -76.01 -31.12 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.055 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 47' ' ' PRO . 66.6 t -59.09 -52.98 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.8 m -71.36 -30.21 65.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.63 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.797 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 145' ' ' VAL . 46.4 pt -73.99 -35.92 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.4 ' N ' HG13 ' A' ' 144' ' ' ILE . 54.5 t -72.0 -33.64 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.561 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 35.2 mt-10 -66.54 -30.67 71.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.326 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -64.07 -40.59 96.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.1 p -94.4 0.19 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . 0.498 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 0.1 OUTLIER -73.09 -13.23 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -103.62 121.5 43.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -111.96 135.56 52.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.993 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.903 0.383 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -93.48 133.73 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -167.84 165.4 8.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -179.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -79.86 -33.79 1.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.392 2.061 . . . . 0.0 111.914 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HA ' ' HG3' ' A' ' 64' ' ' PRO . . . -59.78 -34.2 72.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.621 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -69.21 -42.83 75.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.96 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 11' ' ' ARG . 30.8 mmm180 -71.62 -42.27 67.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD13 HG12 ' A' ' 33' ' ' ILE . 90.2 mt -53.15 -43.61 67.14 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.5 mtt -62.81 -31.55 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.459 HH11 HH11 ' A' ' 8' ' ' ARG . 99.1 mtt180 -75.28 -31.85 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -74.38 -30.88 62.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.54 -51.48 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -31.7 69.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.282 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -79.66 -25.4 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.047 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.87 -43.01 66.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.441 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -62.5 -33.8 75.6 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.0 -42.04 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.897 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -156.16 83.56 3.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 156.43 62.72 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.618 2.212 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.61 150.6 79.83 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.405 2.07 . . . . 0.0 112.285 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.18 136.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.12 -19.66 50.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.816 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.63 157.11 12.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.435 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.8 t -135.91 146.94 47.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.724 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.73 87.75 0.12 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.68 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.05 153.69 67.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.547 0.213 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.91 110.32 2.35 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.389 2.06 . . . . 0.0 112.335 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 p -77.78 -62.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -136.68 -29.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 13.7 m120 -64.29 146.35 54.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.699 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -53.59 175.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 111.681 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG12 HD13 ' A' ' 9' ' ' LEU . 20.6 tt -56.68 -18.53 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.523 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 51.5 mtt -71.18 -50.39 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 8.1 tt0 -104.24 127.57 51.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.795 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -114.74 153.64 29.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.12 116.9 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.382 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.12 148.91 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.012 0.434 . . . . 0.0 111.628 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 54' ' ' LYS . 9.2 p -137.95 146.93 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.9 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.0 mt -129.2 120.46 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -90.48 149.44 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.727 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.96 139.88 37.11 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.611 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD3' HD12 ' A' ' 113' ' ' LEU . 55.7 Cg_endo -70.6 178.83 4.67 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.429 2.086 . . . . 0.0 112.096 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.29 128.48 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.67 9.76 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.6 p -138.31 156.6 73.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.349 0.119 . . . . 0.0 111.135 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.9 2.32 3.16 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.267 1.978 . . . . 0.0 112.175 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -111.15 -3.28 15.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.712 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -57.56 -30.4 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.579 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.48 -37.83 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 111.32 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.27 -173.87 41.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.621 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 t -148.32 151.65 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -130.11 122.23 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.563 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 39' ' ' VAL . 94.2 mttt -94.34 155.49 16.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.291 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -152.96 163.7 39.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.05 153.0 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.938 0.399 . . . . 0.0 111.654 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -126.81 123.26 62.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -114.3 125.04 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -103.61 151.07 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.1 t -101.63 161.61 13.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.76 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -87.75 6.05 36.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.01 -84.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 96.5 m-85 -148.39 152.75 39.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 16.4 Cg_exo -67.26 -11.81 33.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.616 2.21 . . . . 0.0 112.112 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.62 -25.55 16.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.274 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -55.87 151.99 21.89 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.818 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.44 125.91 17.95 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.412 2.075 . . . . 0.0 112.219 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.22 -172.84 1.1 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.295 1.997 . . . . 0.0 112.354 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.3 m -131.51 113.76 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 109' ' ' ILE . 98.1 t -130.3 136.89 57.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.839 0.352 . . . . 0.0 111.406 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -166.46 144.34 5.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -71.28 146.79 48.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.0 mt -87.94 -37.44 16.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.471 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.2 m -90.4 143.91 26.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.716 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -56.37 125.73 23.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.012 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.53 164.18 30.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -137.98 115.4 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -129.49 156.13 79.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.64 -18.31 39.74 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.277 1.985 . . . . 0.0 111.974 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.1 m120 -134.9 118.3 16.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.6 t -153.27 121.86 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -66.18 176.63 1.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.959 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.45 74.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.58 7.69 32.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.58 4.18 87.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.588 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.3 m -63.26 158.3 20.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.4 mp -90.9 137.15 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 65.0 m -80.94 104.7 11.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.8 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -134.12 143.49 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' H ' HD13 ' A' ' 89' ' ' LEU . 20.8 t70 -68.61 -22.09 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.51 HG22 ' HB3' ' A' ' 89' ' ' LEU . 17.3 tt -69.61 -13.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.084 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -72.84 -25.62 61.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.071 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.25 -164.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -67.19 -0.24 3.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -72.24 -8.51 55.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.737 0.303 . . . . 0.0 110.994 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -71.15 147.28 48.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.4 m -136.58 151.94 73.74 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.607 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.14 1.78 7.42 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.434 2.09 . . . . 0.0 112.545 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.7 m -86.82 -48.4 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -56.6 151.13 14.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -102.41 -175.67 2.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 105' ' ' ILE . 11.5 p -64.78 -26.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.8 m -63.36 -32.32 73.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.5 t -61.19 -30.13 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.211 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.4 OUTLIER -78.96 -27.41 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.992 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.71 -42.66 70.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.0 p -73.85 -29.89 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.773 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.2 p -62.76 -41.21 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.212 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.53 HD11 HG11 ' A' ' 70' ' ' VAL . 70.9 mt -73.24 -38.59 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.423 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.93 -32.2 71.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.816 0.341 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m -67.45 -29.18 68.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.67 -26.13 65.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.529 HD12 ' HD3' ' A' ' 43' ' ' PRO . 5.5 mt -76.57 -42.16 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.43 -32.75 71.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.005 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 44.7 mt-10 -115.38 98.9 51.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.769 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 115' ' ' GLU . 11.6 Cg_endo -55.45 -18.24 18.89 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.703 2.268 . . . . 0.0 112.484 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -125.44 103.11 29.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -89.66 21.51 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.663 2.242 . . . . 0.0 111.976 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 66.08 149.34 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.64 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.5 m 57.81 93.27 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.47 144.61 90.89 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.562 2.174 . . . . 0.0 112.635 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.46 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -112.35 -25.85 9.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.904 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -129.58 105.76 8.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.413 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -64.77 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.256 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.42 -52.47 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.535 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.91 41.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.613 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.09 -35.67 73.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.382 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -65.51 -38.54 89.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.147 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.39 -26.71 68.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.289 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -64.31 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.468 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -99.73 -45.56 5.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.648 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.77 -77.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.748 0.308 . . . . 0.0 111.274 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.11 88.31 2.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -67.29 -26.78 66.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.694 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -67.02 -29.68 69.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.81 -31.92 52.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -73.71 -47.41 39.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.369 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.29 -40.74 87.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.386 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -64.06 -34.14 77.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -68.21 -34.22 75.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.5 -48.04 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.3 p -66.17 -30.3 70.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.6 -57.96 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.484 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 43.2 pt -58.46 -31.43 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.677 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.7 t -76.03 -41.85 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.244 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -60.49 -34.34 73.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.02 -39.76 91.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -97.94 9.61 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.789 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.81 161.27 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.718 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 48.7 t30 60.37 -87.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -130.72 162.31 29.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.348 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.333 -0.842 . . . . 0.0 110.862 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.2 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.771 0.32 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -90.13 139.26 30.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.092 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -143.45 156.0 60.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.424 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.67 -31.72 69.38 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.733 2.289 . . . . 0.0 112.189 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.47 68.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -65.16 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.011 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -71.69 -31.52 66.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -77.55 -41.26 39.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.5 -36.02 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.337 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 68.1 mtm -72.24 -51.72 19.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -56.68 -28.69 61.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.336 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.58 -34.52 72.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.068 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -65.33 -52.91 50.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -62.28 -31.86 72.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.03 0.443 . . . . 0.0 110.266 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -75.14 -28.38 60.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.175 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -75.27 -47.13 29.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.441 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -57.99 -23.81 55.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 111.419 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.29 -48.64 49.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.918 0.389 . . . . 0.0 110.504 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -141.64 79.97 16.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 37.4 Cg_endo -65.74 148.03 86.34 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.549 2.166 . . . . 0.0 112.264 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.8 Cg_exo -64.49 156.06 62.73 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.525 2.15 . . . . 0.0 112.191 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.86 138.07 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.034 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 -22.61 13.33 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.317 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 40' ' ' ILE . 27.1 m -140.36 160.04 25.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.3 t -151.26 148.1 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.06 125.2 1.54 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.501 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.16 146.35 19.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.375 0.131 . . . . 0.0 111.0 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.5 106.46 1.96 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.482 2.121 . . . . 0.0 112.471 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.0 m -77.54 -156.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.404 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.65 -19.59 4.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.862 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -67.3 146.48 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.013 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -52.58 168.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.455 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -63.12 -26.0 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.004 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 72.1 mtm -73.68 -0.27 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.565 0.221 . . . . 0.0 111.377 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -140.51 117.47 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -117.62 135.12 54.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -100.61 126.83 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.35 147.31 52.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.125 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.0 t -118.63 120.55 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 ' HA ' HG12 ' A' ' 24' ' ' VAL . 59.7 mt -111.44 130.93 64.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -104.33 133.82 48.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA2' HD12 ' A' ' 113' ' ' LEU . . . -58.79 145.74 42.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.368 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.51 -174.86 0.75 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.29 1.993 . . . . 0.0 112.229 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.92 138.65 31.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.2 63.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.656 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.3 p -116.68 157.05 47.02 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.33 0.109 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.74 -0.15 5.69 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.474 2.116 . . . . 0.0 112.17 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -111.05 -2.35 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.017 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.53 -31.05 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.34 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.07 -32.8 22.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.14 176.33 35.74 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.638 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.6 p -137.35 143.59 42.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -123.72 144.3 49.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -119.86 139.81 51.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.495 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.45 164.62 28.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 111.418 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -126.53 134.38 66.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.9 mp -103.55 111.11 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -96.31 132.75 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -112.28 148.17 34.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.9 m -113.65 126.35 55.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.597 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -62.57 94.42 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.795 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -144.3 -83.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -146.19 153.03 48.29 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.4 -17.29 52.54 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.49 2.126 . . . . 0.0 112.125 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.45 -14.16 19.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -58.13 132.04 84.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.65 135.55 71.11 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.353 2.035 . . . . 0.0 111.99 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -85.41 175.11 6.49 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.556 2.171 . . . . 0.0 112.641 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.5 m -128.75 130.19 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.504 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG11 HD11 ' A' ' 105' ' ' ILE . 11.7 p -139.99 146.95 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.905 0.383 . . . . 0.0 111.358 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -166.86 142.02 4.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.78 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -65.49 147.68 53.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.023 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.6 mt -85.79 -30.71 22.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.454 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.4 m -101.55 165.76 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.754 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 2.4 mmmp? -67.95 133.58 49.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -142.02 156.95 45.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -134.0 120.74 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -134.41 158.78 74.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.73 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.61 -19.21 36.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.402 2.068 . . . . 0.0 112.503 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' ND2' ' HG3' ' A' ' 118' ' ' PRO . 4.8 p30 -144.87 118.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.185 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.34 157.0 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -98.51 174.33 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.939 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -24.98 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.017 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.03 4.93 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.716 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.04 12.44 75.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.619 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -71.89 165.24 24.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.638 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD22 ' A' ' 112' ' ' LEU . 4.9 mp -97.22 134.57 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 49.5 t -85.32 94.46 8.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.755 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -125.85 137.81 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 95' ' ' ARG . 11.5 m-20 -60.97 -29.91 69.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 89' ' ' LEU . 16.6 tt -66.24 -26.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.5 tp -68.3 -25.36 65.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.19 -163.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.811 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.33 -7.16 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.322 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.465 ' HD3' ' HB3' ' A' ' 90' ' ' ASP . 76.8 mtp180 -73.58 0.83 11.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -75.82 147.75 38.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.1 m -141.81 148.23 48.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.64 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.77 -1.43 10.38 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.376 2.051 . . . . 0.0 112.612 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.9 t -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.248 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -98.4 -179.91 4.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -140.21 -173.89 3.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.95 -21.94 29.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.419 ' HB3' ' HG3' ' A' ' 21' ' ' PRO . 53.2 m -69.98 -31.87 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.0 m -61.1 -52.02 66.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.816 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.443 HD11 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -59.57 -36.98 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.92 -47.83 83.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.4 p -74.67 -27.55 60.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.436 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.281 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.5 mt -68.22 -38.5 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' NE2' HG13 ' A' ' 24' ' ' VAL . 36.5 tt0 -59.0 -31.95 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.772 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.2 t -69.97 -29.43 66.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.48 HD22 HG23 ' A' ' 87' ' ' ILE . 26.3 tp -57.75 -31.86 66.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.425 HD12 ' HA2' ' A' ' 42' ' ' GLY . 1.9 mt -77.2 -44.81 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.671 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.12 -35.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.49 98.07 50.12 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.786 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.38 -15.98 26.84 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.473 2.116 . . . . 0.0 112.42 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -120.47 104.14 43.21 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.76 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.409 ' HG3' ' ND2' ' A' ' 80' ' ' ASN . 97.4 Cg_endo -85.45 21.14 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.682 2.255 . . . . 0.0 112.209 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.8 m120 61.38 13.67 5.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.957 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -163.46 68.59 1.73 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.28 146.3 96.78 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.611 2.207 . . . . 0.0 112.24 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.5 -31.11 7.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -114.43 99.85 7.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.538 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 t -66.71 -27.81 67.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.333 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.73 21.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.48 73.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.241 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.531 HE21 ' HG2' ' A' ' 132' ' ' GLU . 23.1 tp60 -67.11 -48.35 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.52 -27.75 62.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.26 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -62.69 -44.0 97.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.314 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -91.5 -16.6 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.506 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.531 ' HG2' HE21 ' A' ' 128' ' ' GLN . 15.3 mm-40 -92.71 -75.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.096 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.4 HD21 ' HB2' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -113.69 88.08 2.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.856 0.36 . . . . 0.0 110.5 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -63.65 -28.13 69.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.4 ' HB2' HD21 ' A' ' 133' ' ' ASN . 31.2 mmm180 -64.93 -30.15 71.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.962 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -81.65 -30.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -72.84 -46.21 54.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.965 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.92 -33.07 74.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -69.77 -35.95 75.34 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -70.87 -51.12 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.16 -35.88 64.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 84.0 p -71.02 -30.52 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.79 18.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.429 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.1 pt -59.45 -31.94 47.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.462 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.34 -41.23 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.177 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -62.97 -46.21 88.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.53 -25.74 68.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.0 m -104.66 8.5 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.26 100.34 11.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.546 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.2 162.24 22.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -140.08 -9.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.917 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.935 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -99.67 123.31 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -139.55 156.38 71.38 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.447 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.07 -33.48 73.36 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.543 2.162 . . . . 0.0 112.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.49 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.26 -35.02 79.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.64 -34.32 77.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 28.1 mmt180 -77.0 -34.06 57.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.069 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 33' ' ' ILE . 66.9 mt -62.97 -29.67 70.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.7 mtt -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.62 -31.62 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.986 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.7 -40.76 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.39 -49.21 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -52.85 -39.05 62.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.616 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -79.8 -25.49 40.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.02 -44.28 66.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.434 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -62.18 -24.72 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.456 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.01 -41.91 27.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -143.09 80.01 13.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.597 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.99 150.8 78.1 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.532 2.154 . . . . 0.0 112.264 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 153.26 74.8 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.384 2.056 . . . . 0.0 111.994 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -90.57 141.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.022 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.82 -11.2 60.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG22 HD23 ' A' ' 106' ' ' LEU . 15.0 p -155.62 151.25 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.694 0.283 . . . . 0.0 110.975 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.9 m -139.73 133.68 30.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.53 128.71 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.326 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 150.62 20.01 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.482 0.182 . . . . 0.0 110.993 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 108.6 2.71 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.401 2.067 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.5 p -129.29 143.65 50.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 62.87 -81.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -59.37 145.66 42.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.666 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -61.38 -173.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.349 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.516 HD12 ' HE1' ' A' ' 36' ' ' TRP . 10.3 tp -56.92 -21.36 14.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.191 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -58.23 -54.63 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.32 144.97 33.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.103 0.478 . . . . 0.0 111.265 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.516 ' HE1' HD12 ' A' ' 33' ' ' ILE . 6.8 m0 -123.19 146.33 47.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.52 128.22 55.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.66 150.17 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.6 120.3 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -103.53 120.89 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -94.62 152.21 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.66 24.85 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.755 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.4 5.41 5.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.742 2.294 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 66.73 104.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 127.06 11.42 3.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.956 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 80.9 p -132.65 159.62 71.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 C-N-CA 122.016 0.126 . . . . 0.0 110.796 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 34.8 Cg_endo -65.43 -3.13 7.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.182 1.921 . . . . 0.0 112.396 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -97.57 -12.86 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.749 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.34 -27.54 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.19 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.34 0.29 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.599 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -144.52 177.15 23.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.632 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.8 p -126.68 152.0 47.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 111.012 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -130.91 135.07 47.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.239 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -111.81 139.44 47.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.601 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.58 164.17 29.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.325 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.06 137.51 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.944 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -112.36 112.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -87.79 150.67 23.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -134.36 150.07 50.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -107.05 138.08 43.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.481 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.2 4.08 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.5 -83.11 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 96.7 m-85 -142.53 155.5 63.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.758 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 66.9 Cg_endo -73.88 -0.81 9.95 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.435 2.09 . . . . 0.0 112.4 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -104.4 -18.21 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.281 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 34.9 mmtp -60.36 146.83 83.5 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 113.04 3.22 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.466 2.111 . . . . 0.0 112.371 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.8 161.63 43.27 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.327 2.018 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.4 m -116.58 117.97 31.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.72 145.78 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -159.65 146.63 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -69.32 147.8 50.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.03 -28.45 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.5 t -98.6 157.99 15.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.11 138.48 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.97 154.28 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -131.11 115.53 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.301 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -132.71 156.64 79.86 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.988 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.0 -18.47 43.21 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.461 2.107 . . . . 0.0 112.314 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -138.47 118.32 13.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.837 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.518 ' H ' ' ND2' ' A' ' 123' ' ' ASN . 77.1 t -153.44 126.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.622 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -72.63 168.2 19.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.91 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.32 -16.2 57.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.636 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 94.21 8.39 60.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -68.54 168.64 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -97.89 137.64 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.55 109.92 19.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.7 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -141.24 146.24 36.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.526 ' H ' HD13 ' A' ' 89' ' ' LEU . 6.9 m-20 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.243 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 16.5 tt -66.6 -21.85 29.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.3 mt -76.51 -9.97 59.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.455 HE21 ' HA ' ' A' ' 90' ' ' ASP . 47.1 mt-30 -82.31 -163.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.64 -3.91 17.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -72.92 -17.99 61.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -57.14 142.44 42.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.1 m -134.01 142.88 45.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.783 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.77 -3.79 13.4 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.569 2.179 . . . . 0.0 112.328 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.4 m -75.05 -41.22 59.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -65.76 -179.01 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -129.6 -171.6 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.23 -26.22 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -66.42 -32.58 74.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.6 p -56.29 -42.6 77.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.048 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -69.97 -31.76 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 HG22 ' A' ' 24' ' ' VAL . 1.8 mp -65.63 -54.54 26.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 64.5 p -65.19 -27.57 68.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -61.81 -48.56 80.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.647 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.1 -34.79 71.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.478 ' HA ' HD21 ' A' ' 113' ' ' LEU . 61.6 tt0 -59.08 -33.46 70.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.631 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -72.24 -29.23 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.428 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.05 -56.35 20.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.563 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' H ' ' A' ' 113' ' ' LEU . 0.9 OUTLIER -67.41 -22.19 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 0.0 111.003 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.69 -40.67 72.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -171.54 121.15 0.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.13 -165.6 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.438 2.092 . . . . 0.0 112.263 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -111.69 147.94 37.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -23.78 72.09 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.485 2.123 . . . . 0.0 112.364 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -70.01 -179.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -79.8 148.01 67.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.81 -160.99 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -105.02 -6.19 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.209 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.518 ' ND2' ' H ' ' A' ' 81' ' ' VAL . 37.9 m-80 -135.66 99.82 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.738 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.3 p -61.4 -27.99 68.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -74.86 -48.39 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.44 65.75 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.67 75.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.34 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -59.3 -34.87 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.308 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.97 -27.63 66.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -70.25 -49.19 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 111.154 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.441 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -95.29 -76.28 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.031 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -126.99 85.01 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -63.81 -14.09 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -64.77 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 140' ' ' ARG . 10.3 tp10 -78.94 -34.8 44.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -69.41 -48.58 60.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 -36.8 73.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -64.4 -32.04 73.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.583 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 136' ' ' GLU . 36.9 mmt180 -74.85 -30.99 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.699 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.21 -43.61 91.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -71.2 -34.46 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.043 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.12 19.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 39.3 pt -58.72 -32.38 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.784 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.599 HG13 ' HA3' ' A' ' 51' ' ' GLY . 48.4 t -74.56 -42.26 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.365 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.2 -34.65 77.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.156 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -69.02 -30.2 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -104.17 11.56 34.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -80.66 113.19 18.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.846 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -62.01 138.94 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.1 t70 58.87 93.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 61.4 p . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.914 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -140.02 147.35 40.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -160.78 165.22 17.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.211 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -79.85 -36.1 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.374 2.05 . . . . 0.0 111.772 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 3' ' ' THR . . . -57.59 -34.06 68.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.452 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' H ' ' CG2' ' A' ' 3' ' ' THR . 46.7 ttp180 -66.34 -45.68 79.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.591 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -59.12 -32.81 70.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.957 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.223 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.9 mt -54.68 -33.24 60.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.21 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.9 mtp -72.73 -35.96 67.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.91 -37.24 83.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -70.59 -30.48 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -72.07 -56.1 6.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.424 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -55.8 -31.96 63.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -80.12 -26.23 39.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.275 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -71.5 -44.57 64.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.421 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -61.53 -27.24 68.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.761 0.315 . . . . 0.0 111.355 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.57 -50.67 70.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -141.91 70.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.95 144.47 8.27 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.87 146.65 85.4 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.458 2.105 . . . . 0.0 112.294 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.85 118.95 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.332 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.84 -23.69 31.72 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.673 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.91 166.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 m -149.77 141.89 24.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.512 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -144.59 110.5 0.57 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.636 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.69 151.95 23.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.388 0.137 . . . . 0.0 111.062 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.71 121.12 8.15 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.508 2.138 . . . . 0.0 112.219 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.6 t -97.94 -76.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -106.73 -38.21 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.676 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.04 145.78 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.797 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -60.71 -174.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.0 tt -57.14 -20.88 13.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.396 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 84.5 mtp -59.75 -63.83 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.65 137.68 41.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 24.4 m0 -114.43 144.81 42.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -100.92 102.82 13.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.73 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.61 149.89 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.392 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.68 119.9 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.916 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -110.94 122.25 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -95.01 133.77 38.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.759 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.19 146.99 47.74 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.61 177.02 8.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.501 2.134 . . . . 0.0 112.095 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.97 169.73 15.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.99 21.33 61.21 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.764 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.5 p -135.22 157.46 76.72 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 122.933 -0.157 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.9 -2.82 9.36 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.314 2.009 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -102.1 -7.83 21.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.89 -35.05 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.441 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.96 -18.48 34.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.452 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.551 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -106.77 173.73 19.51 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.854 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -135.43 154.81 51.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.669 0.271 . . . . 0.0 110.74 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -136.18 139.4 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 111.354 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -115.62 138.45 51.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.457 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.592 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.71 164.07 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.348 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.58 136.09 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.3 mp -108.1 112.26 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.0 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -92.1 124.53 36.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -105.48 148.08 27.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.1 p -128.77 144.31 51.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.273 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.613 ' HG3' ' H ' ' A' ' 62' ' ' GLU . 2.9 pt-20 -50.92 -87.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.714 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.613 ' H ' ' HG3' ' A' ' 61' ' ' GLU . 15.1 mm-40 44.8 -98.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.449 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 94.2 m-85 -147.09 147.23 28.4 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.537 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -62.13 -11.28 21.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.599 2.2 . . . . 0.0 112.462 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -98.33 -15.81 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 41.0 mmtm -67.85 148.33 98.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -74.83 142.34 28.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.511 2.141 . . . . 0.0 112.486 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.1 172.35 10.84 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.607 2.205 . . . . 0.0 112.451 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -118.0 112.73 20.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -119.99 148.66 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.877 0.37 . . . . 0.0 111.442 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -158.54 144.31 16.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -70.79 148.36 47.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.3 mt -98.04 -44.6 6.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -82.94 156.77 23.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -58.15 124.85 20.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.58 164.18 30.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.293 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -142.59 108.08 5.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -120.61 157.62 53.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.06 -23.25 67.91 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.548 2.166 . . . . 0.0 112.264 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -140.97 118.96 11.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.811 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.26 144.14 13.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.63 173.59 11.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -31.98 73.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -82.93 -13.09 56.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.48 4.83 57.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.2 m -64.84 163.11 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 110.778 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 87' ' ' ILE . 4.8 mp -99.4 136.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.8 t -91.53 101.49 14.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -125.91 150.4 47.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.766 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.54 ' H ' HD13 ' A' ' 89' ' ' LEU . 10.7 m-20 -78.86 -15.88 57.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 89' ' ' LEU . 18.9 tt -64.74 -28.23 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 111.16 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -67.57 -22.63 65.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -69.78 -165.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -67.87 -1.29 5.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -76.67 -0.55 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -79.81 140.34 36.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -121.84 153.02 60.14 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.03 4.56 6.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.626 2.217 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.8 p -89.32 -44.82 9.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -64.07 167.27 6.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -128.12 -170.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.43 -29.66 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.74 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.8 p -60.25 -32.5 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.187 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 t -60.07 -47.5 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.361 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -63.05 -31.67 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.902 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.512 HD11 ' HA3' ' A' ' 26' ' ' GLY . 92.9 mt -66.96 -46.55 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.4 p -72.78 -27.35 61.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.314 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -64.78 -48.35 74.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 70.8 mt -65.8 -35.15 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.0 t -66.53 -29.32 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.53 -32.28 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.839 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.05 -44.94 94.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.681 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.58 -58.78 6.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.104 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -142.21 100.48 5.82 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -64.45 -173.34 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.252 1.968 . . . . 0.0 112.315 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -127.7 114.6 20.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.63 15.29 1.08 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.402 2.068 . . . . 0.0 112.613 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -59.11 -71.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.0 t -120.23 83.5 32.43 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.97 120.42 7.58 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.655 2.237 . . . . 0.0 112.247 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.89 -51.01 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.832 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.5 103.67 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.414 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 51.3 m -70.52 -30.0 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.281 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -65.16 -45.91 83.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.304 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.4 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.507 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.54 74.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.55 -38.67 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.175 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.27 -27.38 68.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.93 -31.75 72.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -103.7 -13.61 16.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -95.39 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.997 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -128.75 98.72 5.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.984 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -73.3 -22.9 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.745 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -69.9 -30.53 67.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.94 -27.49 49.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.397 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -71.47 -47.07 57.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.828 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.12 -34.07 77.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.2 -32.83 61.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -72.15 -40.21 68.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.2 p -72.43 -33.32 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.2 t -65.61 -30.44 71.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.31 -54.05 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 45.3 pt -59.64 -31.11 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.551 HG13 ' HA3' ' A' ' 51' ' ' GLY . 40.0 t -78.16 -39.59 25.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.993 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.72 -32.05 72.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.48 -40.88 85.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -99.11 14.51 29.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -82.24 101.74 10.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.66 144.63 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -146.76 -68.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.838 -179.788 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.776 0.322 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HA ' HH21 ' A' ' 6' ' ' ARG . 46.1 t -70.87 104.73 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -113.64 155.75 44.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.253 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.48 -34.03 54.95 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.565 2.177 . . . . 0.0 112.36 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.91 81.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.487 HH21 ' HA ' ' A' ' 2' ' ' SER . 31.2 ttp180 -73.94 -33.74 64.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -57.65 -40.4 79.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -65.26 -36.77 85.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -28.63 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.004 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.1 mtt -73.74 -44.85 55.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.545 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -68.15 -31.04 70.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.284 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.12 -36.0 66.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.339 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -66.2 -39.48 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.46 -52.87 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.326 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 4.0 tpm_? -67.44 -25.37 65.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.377 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.32 -51.75 19.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.574 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -60.41 -28.32 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.471 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -80.77 -39.35 26.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.069 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -147.89 80.03 9.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.35 157.84 55.8 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.529 2.153 . . . . 0.0 112.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.08 152.59 70.42 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.443 2.095 . . . . 0.0 112.055 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.5 t -89.88 127.1 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.82 -26.82 22.96 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.337 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG13 ' NE2' ' A' ' 110' ' ' GLN . 30.7 m -140.16 155.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.5 t -142.79 142.65 31.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -147.5 103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.535 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.0 151.51 49.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.74 112.24 3.2 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.413 2.075 . . . . 0.0 112.223 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -87.53 -74.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -113.69 -29.76 7.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 35' ' ' GLN . 28.5 m-80 -69.74 145.82 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -58.31 177.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.1 tt -57.46 -22.62 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.51 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.98 -38.97 92.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 22.6 mt-30 -118.56 134.14 55.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 111.463 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.6 m0 -116.64 147.7 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -100.19 107.12 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.69 149.95 39.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.594 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.86 123.72 52.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.944 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -111.14 128.14 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -100.0 149.86 23.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.09 141.99 29.93 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.418 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.45 144.71 23.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.47 2.113 . . . . 0.0 112.21 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -57.98 128.59 37.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 108.82 1.97 32.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.3 p -120.83 157.72 53.99 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.379 0.133 . . . . 0.0 110.888 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 Cg_endo -67.42 -1.45 6.52 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.442 2.095 . . . . 0.0 112.443 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -103.08 -10.08 19.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -20.2 66.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -78.9 -32.11 45.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.295 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.62 -171.07 16.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.81 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.8 p -135.74 154.22 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -128.61 156.12 43.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.65 143.4 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.589 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -146.15 163.18 36.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.024 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 36' ' ' TRP . 10.4 p -122.37 146.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.42 HG23 HG22 ' A' ' 70' ' ' VAL . 4.1 mp -119.36 110.7 30.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.007 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.57 125.17 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -101.83 155.56 18.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 79.8 p -105.22 144.9 31.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.77 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.89 5.09 8.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.13 -82.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 97.5 m-85 -145.91 154.29 50.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.501 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.0 10.51 1.39 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.264 1.976 . . . . 0.0 112.438 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -119.56 -14.46 9.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 30.1 mmmt -63.96 151.56 89.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.734 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.04 120.97 9.25 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.395 2.064 . . . . 0.0 112.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.44 -177.62 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.359 2.039 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.3 113.5 13.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.448 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG22 HG23 ' A' ' 57' ' ' ILE . 80.9 t -132.48 134.68 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -166.99 135.64 2.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.96 132.43 48.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.59 -31.86 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.3 t -95.7 155.07 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.27 150.71 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.664 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -159.45 161.96 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.328 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -143.13 108.24 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.599 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -122.09 160.09 48.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.02 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.57 -15.1 23.82 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.492 2.128 . . . . 0.0 112.184 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -153.92 118.65 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.459 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 9.9 p -154.55 159.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.855 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.27 169.29 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.89 -43.62 82.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.559 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -76.08 -2.44 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.22 0.06 59.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -60.92 148.7 38.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.736 0.303 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 87' ' ' ILE . 5.0 mp -91.36 132.09 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.405 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.11 96.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.3 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.576 HD22 ' H ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -118.16 144.31 45.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.984 0.421 . . . . 0.0 111.122 -179.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' HA ' ' NE2' ' A' ' 93' ' ' GLN . 8.6 m-20 -81.82 -15.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.576 ' H ' HD22 ' A' ' 89' ' ' LEU . 13.3 tt -73.3 -20.65 18.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.9 mt -71.44 -29.31 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 90' ' ' ASP . 2.6 mp0 -66.94 -163.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -2.52 2.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.706 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.34 8.67 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 60.4 t-105 -88.79 148.28 24.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 m -143.98 148.99 44.24 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.454 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.41 15.9 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.345 2.03 . . . . 0.0 112.472 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.9 m -93.54 -45.37 7.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -67.12 175.2 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -137.98 -171.17 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 105' ' ' ILE . 14.8 p -59.65 -22.45 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.752 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.4 t -69.78 -32.27 70.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.9 t -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.615 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -71.81 -34.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.486 -179.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.471 HD11 ' HA3' ' A' ' 26' ' ' GLY . 24.5 mt -61.65 -49.7 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.339 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 50.5 p -67.28 -27.81 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.579 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.543 ' HB3' HD21 ' A' ' 89' ' ' LEU . 74.5 m -63.98 -46.05 86.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.392 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.77 -44.65 98.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' NE2' HG13 ' A' ' 24' ' ' VAL . 35.4 tt0 -60.07 -35.61 75.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -65.06 -29.23 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.818 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.06 -23.27 61.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.695 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.78 -43.86 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.708 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.82 -42.69 94.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.174 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -154.58 82.62 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.68 162.26 28.87 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.359 2.039 . . . . 0.0 112.188 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.409 HD21 ' HB3' ' A' ' 119' ' ' ASN . 49.6 t30 -103.7 106.89 54.51 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.06 7.02 2.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.393 2.062 . . . . 0.0 112.576 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.409 ' HB3' HD21 ' A' ' 117' ' ' ASN . 7.0 t30 -86.12 113.27 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.756 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.0 t 56.64 79.97 0.31 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.82 176.02 8.86 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.657 2.238 . . . . 0.0 112.165 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -111.91 -20.82 11.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.419 . . . . 0.0 110.312 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -120.54 111.09 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.652 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 56.7 m -70.83 -28.6 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.379 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -74.22 -45.82 45.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.233 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.19 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.474 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.99 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.582 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.82 -50.78 61.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.147 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.1 -27.38 69.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.056 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.433 ' HD2' HE21 ' A' ' 131' ' ' GLN . 58.5 t80 -60.07 -23.57 63.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.433 HE21 ' HD2' ' A' ' 130' ' ' TYR . 22.8 mm-40 -98.53 -60.06 1.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.34 -79.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.453 ' HB3' ' HG2' ' A' ' 136' ' ' GLU . 41.4 m-80 -116.8 96.12 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -69.95 -20.8 63.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.614 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -69.43 -37.44 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 133' ' ' ASN . 10.1 mm-40 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -78.37 -52.06 9.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.426 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.15 -36.36 75.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -61.13 -33.95 74.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -76.18 -40.35 52.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.272 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.27 -35.7 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m -69.28 -30.85 69.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.77 -54.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.529 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 24.1 pt -57.15 -41.03 77.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.743 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.22 -30.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.209 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.1 -32.64 74.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -67.05 -24.87 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.5 m -93.6 -4.55 50.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -78.31 -171.63 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 14.2 m120 63.59 8.13 3.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -108.12 -11.12 15.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.804 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.955 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 m -155.63 112.86 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 61' ' ' GLU . 1.1 p -151.44 154.53 33.62 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.359 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.07 -29.25 40.38 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.39 -38.68 68.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.387 . . . . 0.0 111.21 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HG2' HG12 ' A' ' 33' ' ' ILE . 6.1 tmm_? -66.04 -30.83 71.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.741 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -68.68 -44.71 73.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -59.57 -43.84 93.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.6 -28.8 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.46 -37.29 82.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.744 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -74.97 -28.83 60.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -73.48 -40.32 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.834 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -59.8 -39.78 86.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.653 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -51.55 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.654 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 1.2 tpm_? -57.85 -30.35 65.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.835 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.6 -44.37 97.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -64.97 -45.01 87.46 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.181 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.596 ' HG3' HH21 ' A' ' 15' ' ' ARG . 8.8 mm-40 -62.38 -25.25 67.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.176 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -160.72 82.22 2.1 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.295 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.47 151.23 25.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.751 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HG3' HD12 ' A' ' 106' ' ' LEU . 55.9 Cg_endo -70.23 141.12 42.5 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.171 1.914 . . . . 0.0 112.244 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.8 137.23 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.69 -17.19 51.31 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.596 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.6 m -144.7 149.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.486 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -128.02 150.1 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.506 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -158.58 85.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.46 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.73 152.87 63.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.524 0.202 . . . . 0.0 111.082 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.17 115.71 4.34 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 112.001 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.8 t -84.93 -87.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -102.96 -5.93 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 110.568 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -85.15 146.02 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.782 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -61.86 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.257 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 HG12 ' HG2' ' A' ' 6' ' ' ARG . 9.2 tp -60.15 -26.29 35.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.37 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.5 -69.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.522 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.24 140.99 28.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.8 m0 -120.43 172.18 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.557 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -125.54 112.9 16.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.484 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.64 150.51 48.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 111.609 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 3.6 p -136.55 132.06 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.421 ' HA ' HG12 ' A' ' 24' ' ' VAL . 84.8 mt -119.79 128.31 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -101.39 142.83 32.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.72 138.91 48.76 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.447 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.75 159.28 51.21 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.392 2.061 . . . . 0.0 112.073 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.78 116.12 8.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.2 8.9 10.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 72.8 p -126.99 157.42 72.01 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.353 0.121 . . . . 0.0 110.827 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.5 Cg_endo -67.02 -1.53 6.33 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.17 1.913 . . . . 0.0 112.283 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -104.66 -6.25 20.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.26 -31.82 67.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.55 -45.83 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.989 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.7 171.14 55.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.719 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.0 p -125.16 152.14 44.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.667 0.27 . . . . 0.0 110.758 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 145' ' ' VAL . 74.6 m-85 -137.11 137.93 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 111.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 67.7 mttm -122.31 128.35 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.314 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.68 164.14 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' TRP . 7.4 p -122.33 143.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.619 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.581 HG13 HG23 ' A' ' 70' ' ' VAL . 4.7 mp -116.09 109.5 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.5 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.68 123.63 33.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.91 150.55 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.744 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.1 m -113.3 160.8 17.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.503 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -93.07 10.8 29.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.1 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.868 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -143.96 151.75 53.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.76 -25.53 79.48 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.52 2.147 . . . . 0.0 112.295 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -98.7 -12.87 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.475 ' HE2' ' HD2' ' A' ' 67' ' ' PRO . 1.5 tpmt? -55.27 131.06 69.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HD2' ' HE2' ' A' ' 66' ' ' LYS . 11.7 Cg_endo -54.88 109.05 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.583 2.189 . . . . 0.0 112.277 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 36.1 Cg_endo -65.27 -173.77 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.299 2.0 . . . . 0.0 112.334 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.1 m -129.93 137.38 50.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG23 HG13 ' A' ' 57' ' ' ILE . 10.4 p -140.16 149.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -165.69 150.61 8.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -77.89 136.55 38.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.237 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.07 -53.53 10.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.841 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -71.23 -13.62 61.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt 56.35 96.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.494 ' HB2' HD12 ' A' ' 144' ' ' ILE . 20.9 ptm -102.53 164.04 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -87.71 121.22 29.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.239 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.87 156.37 62.26 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.741 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.29 -31.92 34.26 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.53 2.153 . . . . 0.0 111.868 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 123' ' ' ASN . 78.5 m-20 -136.11 119.11 16.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 p -153.72 151.71 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -87.37 163.7 16.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.731 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.97 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.02 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.9 -13.55 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.03 2.59 74.41 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.583 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.1 m -70.36 150.9 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.719 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.01 135.15 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.3 p -70.77 105.86 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -152.44 138.59 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.516 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' H ' HD13 ' A' ' 89' ' ' LEU . 3.7 m-20 -65.23 -19.05 65.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 89' ' ' LEU . 14.7 tt -73.23 -27.29 23.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.281 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.48 -26.4 66.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.97 -167.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.032 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -69.45 -0.42 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.333 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -72.27 -12.0 60.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.619 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -58.26 144.94 39.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 m -131.14 148.5 70.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.1 -7.89 21.29 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.428 2.086 . . . . 0.0 112.336 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.9 p -74.3 -35.48 63.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -74.08 173.36 10.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -125.3 -173.78 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.9 -34.63 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 82.4 p -60.93 -32.27 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -57.58 -42.77 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.531 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -29.97 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.506 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.0 mt -65.84 -54.16 30.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.777 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 75.0 p -61.97 -28.59 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.288 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.5 ' HB3' ' HG ' ' A' ' 89' ' ' LEU . 68.8 m -63.97 -48.41 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.44 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.92 -32.61 74.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.678 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.2 t -65.71 -29.53 70.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.834 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.49 -32.1 69.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.898 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.93 -45.08 62.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -62.27 -64.93 0.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.071 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -148.3 107.95 3.62 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.03 -162.39 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.495 2.13 . . . . 0.0 112.511 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -127.77 106.89 20.52 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.08 15.58 1.95 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.494 2.13 . . . . 0.0 112.733 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -69.84 -30.1 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.828 0.347 . . . . 0.0 110.767 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.8 m -153.7 113.22 2.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.75 137.23 8.75 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.6 2.2 . . . . 0.0 112.564 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -101.05 -42.85 6.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.423 ' H ' ' HA ' ' A' ' 80' ' ' ASN . 3.4 t30 -107.14 101.74 11.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.6 p -70.35 -31.22 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.768 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -36.69 84.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.772 0.32 . . . . 0.0 111.311 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.42 -54.82 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.646 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -37.01 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.399 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 72.5 mt -59.38 -27.17 65.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.54 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.214 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -94.71 -17.81 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -93.34 -79.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.223 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -112.07 99.7 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -72.7 -24.02 60.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.93 -30.17 66.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.03 -27.62 61.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.72 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 141' ' ' VAL . 57.9 t80 -75.98 -48.85 19.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.101 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.65 -49.14 77.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.614 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -61.33 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 111.042 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.18 -32.88 72.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 137' ' ' TYR . 86.8 t -66.89 -45.11 88.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.2 p -68.78 -30.13 68.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -52.87 26.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.592 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.604 ' HA ' HE21 ' A' ' 147' ' ' GLN . 34.6 pt -60.88 -38.55 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.469 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.4 HG22 ' CZ ' ' A' ' 53' ' ' PHE . 82.5 t -69.95 -36.22 68.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.962 0.411 . . . . 0.0 110.787 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.57 -28.72 70.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.032 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.604 HE21 ' HA ' ' A' ' 144' ' ' ILE . 38.7 mt-30 -58.21 -50.78 72.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.226 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.2 t -98.64 -80.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 54.39 -167.77 0.08 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.591 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 65.97 127.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.979 0.418 . . . . 0.0 111.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -112.89 -40.26 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.967 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.935 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 tmm? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -117.75 118.24 31.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -126.22 154.82 74.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.461 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.95 -36.53 22.43 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.666 2.244 . . . . 0.0 112.575 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.41 84.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.476 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -57.07 -44.85 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.39 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -66.75 -51.87 50.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.438 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -60.2 -29.24 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.754 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -42.87 64.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.691 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.4 mtm -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.92 -29.15 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.558 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.476 ' HB3' HG12 ' A' ' 102' ' ' VAL . 12.5 m-20 -62.34 -41.09 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -62.69 -44.49 96.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -51.55 -39.71 58.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.171 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -79.52 -25.5 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -68.38 -45.27 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.234 -179.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.55 -33.45 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -77.71 -31.87 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.099 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -159.91 88.8 1.91 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HA ' HD13 ' A' ' 16' ' ' LEU . 36.4 Cg_endo -64.93 158.55 50.78 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.5 2.133 . . . . 0.0 112.31 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 21.4 Cg_exo -64.89 159.43 46.06 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.557 2.171 . . . . 0.0 112.13 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.99 126.88 43.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.62 -30.35 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.67 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.41 HG13 ' NE2' ' A' ' 110' ' ' GLN . 29.6 m -130.39 148.76 33.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.207 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.1 t -131.76 144.67 51.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.514 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.96 115.85 0.7 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.776 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.82 151.19 17.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.376 0.132 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.14 114.83 3.17 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.34 2.027 . . . . 0.0 112.234 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -101.08 -75.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -102.12 -44.3 5.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.656 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -66.75 145.91 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.7 -173.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 0.0 111.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 tt -56.37 -27.73 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -59.32 -62.27 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.128 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.479 HE21 HG21 ' A' ' 56' ' ' VAL . 37.9 mt-30 -99.05 134.94 41.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.062 0.458 . . . . 0.0 111.182 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.3 m0 -112.44 150.93 30.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.248 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.88 108.87 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.23 149.31 46.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.622 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -128.97 121.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -110.59 133.49 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -104.02 133.81 48.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.83 141.49 44.84 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HG3' ' HB2' ' A' ' 114' ' ' ASP . 29.9 Cg_endo -63.1 -177.74 0.37 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.395 2.063 . . . . 0.0 112.169 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -87.23 163.25 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.749 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 60.2 21.47 56.63 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.659 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.436 HG21 ' HG2' ' A' ' 43' ' ' PRO . 74.2 p -126.51 155.76 74.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.472 0.136 . . . . 0.0 110.991 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.88 -2.97 10.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.183 1.922 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -101.85 -7.36 22.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.656 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.11 -29.27 68.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.83 -33.86 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.432 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.64 176.33 34.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.087 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.1 p -136.69 143.78 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.666 0.27 . . . . 0.0 110.741 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -123.82 145.16 49.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 111.32 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -120.14 136.5 54.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.496 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.68 164.46 29.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 111.491 -179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG21 HE21 ' A' ' 35' ' ' GLN . 7.1 p -122.8 138.43 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.934 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -107.43 110.38 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -100.59 139.24 36.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -114.0 138.91 49.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.572 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -108.25 124.39 50.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.801 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.36 94.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.62 -78.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -143.73 154.25 58.98 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.81 -7.88 20.84 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.391 2.06 . . . . 0.0 112.409 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -119.97 9.72 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -82.25 131.77 55.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.73 135.3 66.8 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.306 2.004 . . . . 0.0 112.316 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.33 -179.39 5.36 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.454 2.102 . . . . 0.0 112.505 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.01 114.38 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.737 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.525 HG13 HD13 ' A' ' 87' ' ' ILE . 7.9 p -127.1 144.6 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.31 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -156.87 149.93 23.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CE2' HD12 ' A' ' 55' ' ' LEU . 53.2 m-85 -71.01 144.65 50.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.89 -37.97 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -94.73 177.49 5.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.983 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 11.3 mmpt? -72.53 135.68 45.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.78 160.73 42.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -138.89 115.96 10.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -129.92 157.79 75.8 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.95 -25.32 79.21 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.507 2.138 . . . . 0.0 112.284 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -135.24 119.45 17.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.25 147.84 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -88.54 -171.86 3.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.259 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.7 -43.48 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.14 11.51 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 16.02 80.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.415 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -65.4 152.95 42.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.7 0.285 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.525 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -92.68 139.28 18.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.025 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 52.8 t -91.09 117.62 29.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -145.65 139.59 26.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.57 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' H ' HD13 ' A' ' 89' ' ' LEU . 7.2 m-20 -61.55 -25.86 67.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 89' ' ' LEU . 18.9 tt -69.42 -21.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.71 -18.09 54.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.666 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.42 -163.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.797 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -68.37 -4.16 13.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -75.99 -13.89 60.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -58.27 145.12 38.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.5 m -137.4 147.27 57.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.606 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.43 -5.43 17.11 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.356 2.037 . . . . 0.0 112.554 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 t -76.42 -35.13 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -68.32 178.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -135.68 177.74 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 12' ' ' ASP . 9.0 p -61.11 -21.98 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.697 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.3 t -68.74 -33.66 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.0 t -68.43 -50.25 54.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.391 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -34.37 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.272 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.68 -43.43 97.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.4 p -74.49 -27.29 60.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -61.19 -36.1 78.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 75.4 mt -73.39 -40.15 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.41 ' NE2' HG13 ' A' ' 24' ' ' VAL . 36.5 tt0 -61.81 -42.7 99.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.8 tm? -58.62 -39.38 80.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.341 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.04 -44.23 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.441 ' HB2' ' HG3' ' A' ' 43' ' ' PRO . 17.3 t70 -57.22 -52.61 64.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.159 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.52 115.9 1.41 Allowed Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.18 -173.38 1.73 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.472 2.115 . . . . 0.0 112.352 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.475 ' HB3' HD22 ' A' ' 119' ' ' ASN . 0.9 OUTLIER -105.06 105.04 50.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.927 179.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -76.69 21.37 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.479 2.12 . . . . 0.0 112.636 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.475 HD22 ' HB3' ' A' ' 117' ' ' ASN . 32.8 m-80 -83.49 -37.08 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.6 t -140.35 85.53 13.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 134.14 44.09 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.551 2.167 . . . . 0.0 112.326 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -94.97 -41.6 9.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -104.26 111.9 24.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 p -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.561 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.08 -53.08 51.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.488 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.38 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.641 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.8 76.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.668 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.63 -48.97 62.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.576 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -63.32 -35.61 80.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.396 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -98.99 -12.87 20.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.501 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -97.06 -76.13 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.148 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.483 HD21 ' HB3' ' A' ' 135' ' ' ARG . 0.2 OUTLIER -114.3 102.53 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.73 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -69.55 -28.97 66.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.483 ' HB3' HD21 ' A' ' 133' ' ' ASN . 52.5 ttp180 -61.74 -33.63 74.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.289 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.72 -28.1 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.355 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -74.38 -49.69 21.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.77 -45.16 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.376 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -58.39 -33.14 69.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.851 0.358 . . . . 0.0 111.32 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 140' ' ' ARG . 3.6 mmp_? -71.69 -35.06 70.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.25 -50.97 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 44.3 t -68.14 -30.3 69.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -56.12 12.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 40.2 pt -59.22 -32.99 49.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.752 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.83 -38.33 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.328 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.97 -42.99 95.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -62.13 -34.85 77.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.7 t -99.63 15.14 27.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.8 114.18 25.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.818 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -104.86 131.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -110.57 166.77 10.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.824 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -154.08 137.44 15.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.747 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -116.58 156.05 48.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.347 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.98 -33.69 62.02 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.585 2.19 . . . . 0.0 112.279 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.68 86.1 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 10' ' ' MET . 79.9 ttt180 -63.35 -53.64 49.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.054 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.88 -39.39 91.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.435 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HG3' ' HG3' ' A' ' 64' ' ' PRO . 29.2 mmt180 -63.57 -50.64 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -65.1 -30.81 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 74.2 mtp -60.27 -31.18 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -67.16 -30.41 70.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.421 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.31 -30.7 71.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -64.17 -49.92 70.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -36.62 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.125 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -68.72 -32.04 71.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.2 -46.77 88.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -59.85 -34.86 73.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -60.43 -50.66 72.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -140.31 80.53 19.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.689 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 33.8 Cg_endo -64.37 139.85 67.21 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.551 2.167 . . . . 0.0 112.292 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' PRO . 23.3 Cg_exo -64.36 145.97 89.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.456 2.104 . . . . 0.0 112.145 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.31 135.17 29.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.13 -17.67 49.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.678 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' HB ' HD12 ' A' ' 106' ' ' LEU . 31.4 m -141.27 144.88 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 111.55 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -123.46 156.33 35.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.352 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 98.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.673 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.54 152.66 27.82 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.471 0.177 . . . . 0.0 111.063 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.31 110.23 2.61 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.475 2.117 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 t -86.85 -79.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -116.48 -15.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 35' ' ' GLN . 16.3 m120 -78.08 146.9 34.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.33 178.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.791 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 9' ' ' LEU . 9.0 tp -62.39 -32.57 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.58 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.6 mtm -77.85 1.89 18.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.579 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.59 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . 45.8 tt0 -144.06 112.1 6.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 0.0 111.03 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.454 ' O ' HG23 ' A' ' 56' ' ' VAL . 19.6 m0 -108.44 152.78 24.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -102.89 112.67 25.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 106' ' ' LEU . . . -127.83 149.99 50.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.436 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.2 121.33 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HA ' HG12 ' A' ' 24' ' ' VAL . 72.1 mt -104.78 126.54 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.325 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -93.58 137.28 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.7 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.58 136.45 41.88 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HD3' HD12 ' A' ' 113' ' ' LEU . 59.1 Cg_endo -71.89 137.22 29.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.454 2.103 . . . . 0.0 112.315 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.68 112.72 1.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.85 -6.74 6.14 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -115.56 158.35 41.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.29 0.09 . . . . 0.0 110.817 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.51 -1.19 3.64 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.234 1.956 . . . . 0.0 112.548 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.63 -13.88 16.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -20.72 65.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.38 -27.26 60.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.687 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -125.39 -169.15 12.86 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.828 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.3 p -132.24 166.94 20.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.71 0.29 . . . . 0.0 110.69 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -144.01 139.05 28.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.0 123.25 45.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.467 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -125.25 163.49 22.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.24 -179.728 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 73' ' ' LEU . 7.2 p -117.05 141.77 33.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 mp -112.14 109.78 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.69 132.59 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.1 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -109.74 151.15 27.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m -101.56 145.19 29.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.721 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.75 11.87 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.45 -83.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.004 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 82.6 m-85 -147.11 154.37 46.28 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.448 ' HG3' ' HG3' ' A' ' 8' ' ' ARG . 57.3 Cg_endo -71.75 4.38 3.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.359 2.039 . . . . 0.0 112.473 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -113.99 -17.05 12.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.026 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 45.2 mmtm -64.9 153.86 87.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 37.9 Cg_endo -66.37 114.01 2.89 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.51 2.14 . . . . 0.0 112.201 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 31.8 Cg_endo -64.05 179.63 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.465 2.11 . . . . 0.0 112.608 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -131.15 136.76 48.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.34 138.69 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.009 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -152.93 140.13 19.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.35 154.93 36.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 ' HB ' ' A' ' 56' ' ' VAL . 95.6 mt -111.77 -38.13 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.2 m -87.12 24.53 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm 62.56 162.65 0.09 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -162.61 164.2 26.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -141.36 107.83 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -129.16 155.98 79.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.55 -25.97 80.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.53 2.154 . . . . 0.0 112.047 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.601 HD22 ' HG2' ' A' ' 118' ' ' PRO . 71.7 m-20 -133.01 118.28 18.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.53 151.32 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.688 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -85.63 161.78 19.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.75 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -77.41 -13.58 59.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.12 1.6 62.79 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.3 m -65.52 152.66 43.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.959 0.409 . . . . 0.0 110.806 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 87' ' ' ILE . 4.2 mp -82.73 135.56 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 79.2 m -78.59 101.67 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.99 143.43 31.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.36 -23.28 54.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 96' ' ' TRP . 16.3 tt -69.63 -22.6 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.0 mt -89.17 -10.3 47.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.662 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -82.92 -158.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.86 -12.28 58.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -74.17 -10.76 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.058 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 57.9 t-105 -57.8 134.91 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 70.2 m -122.68 145.93 46.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 97' ' ' SER . 11.4 Cg_exo -71.17 -1.14 9.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.658 2.238 . . . . 0.0 112.603 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 t -80.51 -26.04 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.564 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -75.67 -179.02 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.65 -173.71 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.26 -25.14 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.8 m -71.04 -32.47 69.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.223 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.2 t -62.36 -51.89 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.518 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.62 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.156 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.519 HD12 ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -62.7 -52.67 62.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.9 p -71.85 -27.45 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.511 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.0 m -58.07 -48.61 79.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.6 -36.88 78.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -62.01 -32.91 73.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.719 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.0 m -64.43 -29.63 70.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.25 -24.11 67.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.52 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD12 ' HD3' ' A' ' 43' ' ' PRO . 4.2 mt -82.24 -44.7 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.822 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -52.9 -36.6 59.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.296 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -106.65 99.41 24.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -48.69 -23.7 5.88 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.759 2.306 . . . . 0.0 112.798 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -128.96 103.06 18.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.767 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.601 ' HG2' HD22 ' A' ' 80' ' ' ASN . 93.4 Cg_endo -86.62 14.66 2.38 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.621 2.214 . . . . 0.0 112.038 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 61.37 171.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.801 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t 55.72 87.97 0.13 Allowed Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.79 124.07 13.43 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.532 2.154 . . . . 0.0 112.527 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 80' ' ' ASN . . . -106.52 -37.45 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.042 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -111.12 108.36 18.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.387 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.5 m -69.68 -30.73 68.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.446 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.19 -52.29 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.702 0.287 . . . . 0.0 111.156 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.12 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.42 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.65 -34.97 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -73.13 -44.67 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.65 -27.51 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.013 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.89 -39.4 93.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.69 -10.28 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.171 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -98.5 -80.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -116.57 98.25 6.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -69.35 -23.37 63.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -62.24 -35.49 79.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -74.63 -27.31 60.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -75.62 -41.58 53.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.272 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.19 -33.68 73.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.91 -32.1 67.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -73.02 -44.56 60.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.78 -37.18 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.9 p -71.58 -30.48 65.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.96 -55.91 9.45 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 38.7 pt -56.25 -31.46 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.987 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.687 HG13 ' HA3' ' A' ' 51' ' ' GLY . 31.1 t -79.26 -31.99 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.49 -43.19 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.26 -31.23 69.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.309 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.0 m -101.06 13.48 35.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.56 169.0 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.598 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -65.2 174.0 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.7 102.75 12.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.795 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.937 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.788 0.327 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -98.74 157.81 16.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.406 ' CG2' ' H ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -167.79 165.55 8.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.927 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -81.62 -32.24 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.438 2.092 . . . . 0.0 112.178 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.73 75.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 3' ' ' THR . 4.2 tmm_? -66.11 -48.6 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.042 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -55.76 -33.8 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.677 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -63.9 -46.4 85.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.113 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.46 -28.79 63.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -67.54 -39.6 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -73.33 -31.69 64.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.031 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.6 -40.08 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.267 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -68.55 -32.46 72.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.019 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -69.48 -39.82 77.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.854 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -79.84 -25.46 40.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.48 -43.36 73.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.344 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.96 -30.08 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.359 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 13.8 mm-40 -64.82 -51.05 64.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.802 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -146.04 82.87 8.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.51 158.15 47.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.497 2.132 . . . . 0.0 112.294 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.12 157.66 56.19 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.485 2.124 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.28 141.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.63 -23.19 7.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 40' ' ' ILE . 19.1 m -140.09 158.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.089 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.9 t -141.48 144.41 34.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -149.13 117.31 0.86 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.57 151.5 15.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.502 0.192 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.8 115.1 3.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.494 2.129 . . . . 0.0 112.345 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.0 m -99.78 -71.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -82.67 -63.79 1.3 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -65.39 146.53 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.53 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.0 tt -123.9 -27.69 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -51.83 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.346 . . . . 0.0 111.209 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -89.42 143.82 26.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 111.014 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -119.88 144.02 47.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.284 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -101.82 113.1 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.85 149.88 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.305 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -128.23 128.71 68.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.497 ' HA ' HG12 ' A' ' 24' ' ' VAL . 77.1 mt -116.51 125.72 73.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -98.23 140.42 32.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.59 139.61 48.08 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.703 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' HD12 ' A' ' 113' ' ' LEU . 69.3 Cg_endo -74.58 153.18 43.84 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.504 2.136 . . . . 0.0 112.398 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.21 115.6 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.17 16.78 5.14 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.341 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.2 p -135.76 157.43 76.14 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.416 0.15 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.77 0.6 3.45 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.599 2.199 . . . . 0.0 112.18 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -107.12 -8.8 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.994 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.61 -28.26 65.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.02 -20.74 30.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.483 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -108.29 178.74 21.37 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.876 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.2 p -135.31 146.43 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -129.47 149.63 51.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -126.84 138.99 53.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.91 164.32 29.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -179.468 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.07 137.49 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.879 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -108.99 111.8 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -91.62 125.05 36.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.047 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -106.99 146.53 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.9 m -112.99 134.13 54.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.848 0.356 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.42 11.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.625 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -57.2 -80.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.257 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -141.48 155.58 67.19 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.26 -9.73 26.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.51 2.14 . . . . 0.0 112.313 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -110.07 -14.32 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.76 130.81 85.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.42 135.14 64.74 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.392 2.062 . . . . 0.0 112.482 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.57 174.29 12.0 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.496 2.13 . . . . 0.0 112.33 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 140.66 50.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.759 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -150.09 143.79 17.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.056 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -158.62 144.21 16.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.038 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.57 142.3 50.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.9 mt -79.81 -32.72 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 m -97.06 155.01 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 17.2 tptp -71.26 115.9 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 144' ' ' ILE . 63.3 ttp -124.16 143.79 50.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.018 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' H ' HD13 ' A' ' 144' ' ' ILE . 71.2 t80 -103.41 110.58 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.417 ' HD2' ' H ' ' A' ' 80' ' ' ASN . 30.6 t60 -130.47 138.74 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.526 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -46.65 -29.02 7.14 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.93 2.42 . . . . 0.0 112.911 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 12.3 m120 -131.57 118.57 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.25 156.83 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -96.78 171.85 8.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.76 92.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -74.7 -3.75 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.91 75.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.406 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.6 m -70.56 -178.29 1.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.658 0.266 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.47 138.41 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.47 93.78 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.639 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -107.17 150.09 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.523 ' H ' HD13 ' A' ' 89' ' ' LEU . 29.9 t70 -75.1 -8.39 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 89' ' ' LEU . 15.3 tt -73.07 -16.9 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.193 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.51 -8.42 59.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -85.17 -155.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -62.86 -11.74 20.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.31 -8.3 57.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -62.06 140.32 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.5 m -123.44 146.55 50.04 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -74.11 -30.79 8.45 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.412 2.075 . . . . 0.0 112.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 30.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.723 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -55.18 169.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -137.2 147.14 45.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.48 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.2 t -56.89 -31.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.1 m -66.86 -32.43 73.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.5 t -65.35 -46.6 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.348 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 ' O ' ' A' ' 105' ' ' ILE . 0.4 OUTLIER -61.11 -30.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.739 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.467 HD11 ' HA3' ' A' ' 26' ' ' GLY . 85.7 mt -73.64 -49.29 26.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.6 p -64.29 -27.74 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -66.69 -46.07 76.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.0 mt -72.95 -36.14 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.835 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -63.45 -36.67 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.055 0.455 . . . . 0.0 110.595 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.7 m -68.93 -29.39 67.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.83 -28.51 64.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.772 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.417 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -75.39 -44.02 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.401 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.81 -66.88 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.887 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 116' ' ' PRO . 7.4 pt-20 -128.77 98.28 25.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 115' ' ' GLU . 19.3 Cg_endo -60.9 162.68 18.21 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.304 2.003 . . . . 0.0 112.166 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -98.19 121.01 58.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.941 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.6 25.85 0.57 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.541 2.161 . . . . 0.0 112.678 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -68.39 -164.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.4 t -54.62 112.17 3.7 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.67 138.61 85.74 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.575 2.183 . . . . 0.0 112.668 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.461 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -94.77 -29.52 14.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.805 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 47.7 t-20 -121.3 118.53 29.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.372 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -69.8 -49.55 51.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.543 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -61.47 -47.87 83.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.53 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -54.52 -49.67 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.628 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.39 -33.36 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.421 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.17 -32.33 73.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.335 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.1 mt -69.99 -27.15 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.12 -28.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.38 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -103.62 -43.71 5.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.261 . . . . 0.0 111.632 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.28 -78.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -112.76 91.29 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 4.7 ttpm? -66.08 -30.53 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.654 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.12 -32.51 71.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.31 -27.23 61.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -74.09 -50.5 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.45 -35.94 75.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -67.81 -32.98 73.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.995 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -71.67 -33.36 68.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.93 -48.48 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.345 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.5 m -66.65 -30.42 70.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.96 -59.35 3.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 76' ' ' MET . 43.2 pt -56.6 -31.96 35.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.784 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.499 HG13 ' HA3' ' A' ' 51' ' ' GLY . 41.5 t -72.44 -46.28 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 149' ' ' TRP . 41.2 mt-10 -62.57 -34.22 76.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.662 0.268 . . . . 0.0 111.384 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.33 -45.41 80.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.4 m -95.21 13.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . 0.462 ' HB2' ' HA ' ' A' ' 146' ' ' GLU . 5.4 t90 -73.18 -60.61 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -87.62 135.15 33.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.29 -19.81 13.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.982 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.696 0.284 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -142.25 144.18 33.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -145.93 165.59 20.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.105 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 9.8 Cg_endo -79.21 -32.48 1.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.329 2.019 . . . . 0.0 111.997 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' H ' HG23 ' A' ' 3' ' ' THR . . . -62.54 -34.08 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.105 0.478 . . . . 0.0 110.299 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' HG22 ' A' ' 3' ' ' THR . 52.3 mtp180 -66.45 -50.71 62.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.971 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.507 ' HE ' ' HA ' ' A' ' 4' ' ' PRO . 83.9 mtm180 -59.95 -34.4 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.723 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -59.46 -49.83 76.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -56.23 -36.28 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.0 mtt -66.73 -36.25 82.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -66.24 -33.05 74.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.631 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.99 -30.58 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -69.95 -50.29 43.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.222 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -32.26 72.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -79.49 -25.46 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -73.44 -44.44 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -64.55 -40.47 95.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.578 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.56 -21.32 62.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.37 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -170.77 85.16 0.52 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.386 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.98 162.53 26.27 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.618 2.212 . . . . 0.0 112.281 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.3 142.11 26.59 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.489 2.126 . . . . 0.0 112.15 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.32 128.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.96 -23.68 30.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.658 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG12 HG23 ' A' ' 40' ' ' ILE . 20.0 m -140.59 139.51 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.695 0.284 . . . . 0.0 111.35 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -115.19 142.39 46.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.454 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.41 90.58 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.585 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.32 155.25 61.27 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.47 0.176 . . . . 0.0 111.062 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.39 120.06 6.95 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.379 2.052 . . . . 0.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.5 m -115.98 93.96 4.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 65.52 -4.49 0.56 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -95.47 146.12 24.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -54.92 163.37 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.5 tt -57.45 -22.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.31 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -92.87 132.33 37.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -119.59 153.08 36.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -103.68 129.16 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.99 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.25 150.8 35.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.008 0.432 . . . . 0.0 111.692 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 54' ' ' LYS . 7.3 p -136.36 134.5 49.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.739 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.416 HG23 HG12 ' A' ' 24' ' ' VAL . 83.1 mt -117.54 130.14 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -97.78 133.91 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.96 149.02 22.55 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' HD12 ' A' ' 113' ' ' LEU . 52.3 Cg_endo -69.72 164.9 32.77 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.465 2.11 . . . . 0.0 112.403 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.14 120.59 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 110.4 14.49 12.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 75.3 p -127.05 158.19 69.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.983 -0.128 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 44.1 Cg_endo -68.19 3.7 1.94 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.39 2.06 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -109.2 -10.54 14.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.784 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.17 -28.86 63.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -84.96 -27.31 26.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.382 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -97.42 174.11 29.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.901 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.6 p -133.26 129.81 38.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 110.753 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -115.37 135.97 53.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.19 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 39' ' ' VAL . 8.6 mtmm -111.88 147.61 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.521 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.588 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -145.02 164.38 31.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.349 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 p -120.0 139.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.983 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.2 mp -114.06 115.96 51.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -101.68 138.47 38.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -116.6 155.88 27.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -103.89 134.32 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.683 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.89 -8.14 26.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.366 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -59.33 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.785 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -148.13 148.88 30.88 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.39 -15.87 52.05 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.564 2.176 . . . . 0.0 112.541 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.22 -25.07 20.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.519 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.2 147.54 17.76 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 71.8 Cg_exo -51.9 110.22 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.435 2.09 . . . . 0.0 112.36 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 67' ' ' PRO . 39.1 Cg_endo -66.4 160.43 45.55 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.408 2.072 . . . . 0.0 112.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.1 m -122.4 118.15 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 HD13 ' A' ' 87' ' ' ILE . 9.4 p -136.77 141.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -156.94 153.53 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.97 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -77.99 141.66 38.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.0 -36.38 30.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.275 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 m -86.01 171.67 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.747 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -94.17 119.09 32.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.047 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.1 ptm -128.92 162.89 26.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.47 ' H ' HD13 ' A' ' 144' ' ' ILE . 58.0 t80 -118.52 108.05 14.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.593 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -119.1 138.15 25.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.764 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.18 -24.24 14.61 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.591 2.194 . . . . 0.0 112.321 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -140.38 118.31 11.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.427 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 7.5 p -154.76 158.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -86.02 176.83 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.06 -39.26 69.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.383 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.47 -14.19 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.57 10.98 34.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.614 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.2 t -65.18 160.27 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.459 HD13 HG13 ' A' ' 70' ' ' VAL . 4.7 mp -96.11 143.0 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.0 t -91.79 110.28 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -144.77 143.98 30.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.756 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.529 ' H ' HD13 ' A' ' 89' ' ' LEU . 5.1 p-10 -70.62 -24.51 62.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.545 HG22 HD12 ' A' ' 89' ' ' LEU . 15.3 tt -69.88 -22.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.019 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -70.82 -29.23 65.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.044 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -69.45 -163.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -64.77 -4.89 4.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.306 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -72.9 -6.41 44.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.956 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -70.59 141.27 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.7 m -129.02 150.02 74.18 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.03 12.79 2.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.54 2.16 . . . . 0.0 112.703 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 70.6 p -97.92 -16.47 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.11 160.32 16.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -107.7 -172.81 2.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.79 -22.53 26.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -70.37 -32.61 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.6 t -57.12 -51.64 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.204 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -27.96 34.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.91 -46.3 85.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -74.63 -28.79 61.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.542 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.0 m -57.03 -48.64 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.225 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.32 -38.04 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.77 -35.2 77.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.4 t -70.84 -29.32 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.017 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.74 -26.89 64.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.423 HD12 ' HD3' ' A' ' 43' ' ' PRO . 3.5 mt -76.3 -41.34 48.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.97 -62.15 2.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.931 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -142.18 100.54 5.83 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.36 -169.97 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.434 2.089 . . . . 0.0 112.468 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -106.97 115.98 59.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.66 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.46 5.17 5.34 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.236 1.957 . . . . 0.0 112.247 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -108.22 123.81 49.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.6 m 56.37 87.21 0.15 Allowed Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.239 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.1 160.34 33.27 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.526 2.151 . . . . 0.0 112.211 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.427 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -104.49 -16.66 15.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -134.58 100.44 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.43 179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 76.0 p -66.44 -32.36 73.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -71.46 -50.84 27.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 123' ' ' ASN . . . -56.43 -47.12 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.3 75.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.56 -51.33 69.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.11 -30.94 70.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.361 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -57.35 -33.7 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.08 -15.07 15.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.16 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -96.34 -76.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -102.47 83.68 2.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.08 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 134' ' ' LYS . 8.1 mtpm? -66.41 -27.54 67.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -70.38 -30.68 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.407 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -79.08 -27.69 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -74.88 -45.55 42.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.47 -51.92 67.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.173 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -57.07 -31.99 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -69.55 -35.84 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.079 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 145' ' ' VAL . 60.4 t -60.04 -46.78 93.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.217 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.0 t -70.59 -30.22 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.283 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.55 -57.46 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.61 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 77' ' ' PHE . 35.6 pt -59.21 -40.58 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.433 HG13 ' HA3' ' A' ' 51' ' ' GLY . 74.2 t -64.47 -48.27 85.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.431 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.01 -35.84 59.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.661 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -64.33 -43.39 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.167 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.9 t -98.95 15.71 24.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -90.01 -10.11 46.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.62 ' N ' HD22 ' A' ' 150' ' ' ASN . 0.1 OUTLIER -149.22 -3.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.997 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 21.9 t70 61.04 13.59 4.73 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.397 -0.811 . . . . 0.0 111.257 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.768 0.318 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -169.52 138.74 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -137.29 155.0 75.96 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.22 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.56 -29.67 90.48 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.654 2.236 . . . . 0.0 112.444 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.09 77.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.89 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -61.65 -52.98 62.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.11 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.83 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.367 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -60.37 -43.83 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.357 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -36.32 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 55.2 mtt -57.28 -39.5 75.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.826 0.346 . . . . 0.0 110.746 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -59.89 -30.21 68.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -62.55 -48.47 79.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -55.42 -40.83 71.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 0.0 109.937 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -63.44 -31.7 72.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.022 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -67.24 -42.26 84.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.7 -39.52 80.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.235 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -67.19 -35.06 78.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.148 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -163.39 89.25 1.21 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.511 ' HA ' HD13 ' A' ' 16' ' ' LEU . 38.0 Cg_endo -65.81 157.04 61.06 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.443 2.096 . . . . 0.0 112.189 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' HG3' HD12 ' A' ' 106' ' ' LEU . 18.5 Cg_endo -59.64 154.09 51.12 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.249 1.966 . . . . 0.0 112.053 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.7 t -89.99 137.49 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.78 -22.63 8.83 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.381 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 40' ' ' ILE . 18.9 m -139.7 167.9 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.192 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 p -146.66 133.92 20.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.555 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -143.93 111.17 0.61 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.6 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -158.56 154.27 22.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.62 109.56 1.66 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.324 2.016 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.3 p -70.61 -62.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.007 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.73 -33.23 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -62.81 146.75 51.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.669 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' ND2' ' H ' ' A' ' 33' ' ' ILE . 3.1 t-20 -48.29 167.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' HE1' ' A' ' 36' ' ' TRP . 19.5 tt -58.08 -18.69 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.741 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.8 mtp -74.72 -2.45 26.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.338 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -147.32 115.42 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.69 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' HE1' HG13 ' A' ' 33' ' ' ILE . 13.6 m0 -111.17 139.42 46.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -104.05 124.34 48.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.477 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.22 150.17 48.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 0.0 111.646 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -119.8 109.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.492 ' HA ' HG12 ' A' ' 24' ' ' VAL . 61.8 mt -103.83 134.11 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -105.06 130.74 53.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.25 144.34 42.75 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.49 155.6 59.39 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.417 2.078 . . . . 0.0 112.367 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -71.09 118.56 14.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.52 16.61 6.42 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.515 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 66.7 p -131.54 159.52 71.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.318 0.104 . . . . 0.0 110.841 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.515 ' HD2' ' HB ' ' A' ' 46' ' ' THR . 38.9 Cg_endo -66.83 2.95 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.201 1.934 . . . . 0.0 112.412 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -107.7 -7.23 16.46 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.93 -31.56 72.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.495 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.5 2.49 40.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.552 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.54 179.83 18.37 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.2 p -131.18 161.02 33.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 110.985 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -139.81 159.33 42.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -135.05 134.9 40.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.685 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.38 164.13 29.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.313 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 p -119.72 134.41 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.0 mp -107.54 110.11 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.69 144.5 25.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.93 133.07 54.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -96.47 140.83 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.96 9.39 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.67 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -144.17 154.05 57.19 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.92 -19.61 64.05 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.45 2.1 . . . . 0.0 111.958 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' HA ' ' HE1' ' A' ' 96' ' ' TRP . 26.0 t-20 -95.74 -15.86 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HD2' ' HD2' ' A' ' 67' ' ' PRO . 51.8 tptt -60.79 128.93 89.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.52 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 66' ' ' LYS . 24.5 Cg_endo -61.72 115.8 3.02 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.295 1.997 . . . . 0.0 112.125 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.69 178.85 0.6 Allowed 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.365 2.043 . . . . 0.0 112.247 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.0 m -125.32 120.36 30.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -128.69 146.05 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -160.89 150.85 17.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -73.8 136.18 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.17 -45.06 16.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.6 m -86.1 169.86 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -57.94 135.63 56.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -145.7 160.25 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.072 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -148.9 111.37 4.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -131.73 156.03 80.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -62.76 -22.68 74.11 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.398 2.065 . . . . 0.0 112.316 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' ' 122' ' ' ALA . 15.5 m120 -130.93 118.35 20.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 123' ' ' ASN . 9.2 p -154.83 161.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -103.66 172.02 7.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.868 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.99 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -80.61 -11.77 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.5 1.64 60.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.695 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p -65.96 169.74 6.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.2 mp -105.0 149.65 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.032 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.57 104.74 15.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.4 mp -119.98 126.48 50.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.33 -18.72 61.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.285 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.8 tt -70.28 -24.27 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.738 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -78.2 -20.37 51.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -71.26 -160.82 0.05 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.789 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -61.83 -10.2 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -82.14 9.25 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.455 ' HE1' ' HA ' ' A' ' 65' ' ' ASN . 56.7 t-105 -80.75 145.93 31.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.8 t -137.02 145.74 51.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.679 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.96 -3.76 8.91 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.355 2.037 . . . . 0.0 112.061 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.2 m -80.58 -46.36 15.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -54.51 143.57 23.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -124.24 -171.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.329 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 105' ' ' ILE . 62.5 t -56.79 -26.62 24.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.62 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.9 m -69.05 -32.36 71.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 57.4 m -73.19 -48.21 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.075 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.36 -37.99 60.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.664 0.269 . . . . 0.0 111.515 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.555 HD11 ' HA3' ' A' ' 26' ' ' GLY . 96.9 mt -67.96 -52.01 40.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.6 p -60.96 -27.31 68.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.365 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.9 m -67.22 -48.49 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.145 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -63.6 -39.2 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.473 ' NE2' HG13 ' A' ' 24' ' ' VAL . 5.4 tt0 -60.26 -46.32 90.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.5 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 m -68.77 -29.1 67.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.69 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 112' ' ' LEU . 0.6 OUTLIER -58.59 -36.86 74.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.66 -41.26 92.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD2' ' HG3' ' A' ' 115' ' ' GLU . 35.4 t70 -57.12 -62.79 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.2 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.414 ' HG3' ' OD2' ' A' ' 114' ' ' ASP . 39.0 mt-10 -137.3 98.07 10.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.311 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.85 -163.43 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.428 2.085 . . . . 0.0 112.037 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -118.64 104.62 47.05 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.0 15.89 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.584 2.19 . . . . 0.0 112.429 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -81.7 -65.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -105.41 103.7 44.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.25 119.62 6.1 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.447 2.098 . . . . 0.0 112.526 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.44 ' H ' ' ND2' ' A' ' 80' ' ' ASN . . . -90.72 -28.03 18.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.416 ' HB2' HG12 ' A' ' 81' ' ' VAL . 9.4 t-20 -123.36 100.27 6.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.249 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.0 t -65.22 -31.23 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.003 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -62.54 -49.72 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 111.626 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.85 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.908 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.84 87.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.595 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -65.33 -45.65 83.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.219 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.403 ' HA ' ' HB2' ' A' ' 132' ' ' GLU . 89.5 mt -62.58 -26.93 68.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.376 -179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -53.19 -37.19 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.268 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -103.22 -31.49 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.212 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 129' ' ' LEU . 21.4 mm-40 -69.27 -75.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.37 99.56 6.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -69.68 -28.89 66.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.808 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -63.97 -34.36 77.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -71.62 -27.53 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -71.88 -48.26 47.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.309 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.22 -34.08 74.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.443 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -74.7 -30.33 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -74.52 -45.13 47.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.4 p -64.98 -33.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.5 p -71.49 -30.67 66.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.38 14.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.344 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 41.4 pt -56.69 -32.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 149' ' ' TRP . 52.5 t -79.06 -36.63 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.32 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.28 -44.42 88.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.347 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -63.25 -29.33 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.0 m -104.07 10.01 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 145' ' ' VAL . 2.2 t90 -82.91 114.23 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.75 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -154.38 -56.57 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.13 137.26 35.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.094 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -80.11 158.52 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' H ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -159.99 165.4 17.89 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.04 -179.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -80.2 -31.24 1.78 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.435 2.09 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.511 ' H ' HG23 ' A' ' 3' ' ' THR . . . -61.67 -33.84 74.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.37 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -73.1 -40.21 65.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -62.55 -40.09 95.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -62.66 -46.14 89.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.2 mt -55.74 -33.73 64.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 67.6 mtt -62.01 -41.4 98.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.62 -29.41 68.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.746 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 102' ' ' VAL . 22.5 m-20 -72.22 -43.48 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -65.19 -36.33 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.334 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -66.62 -34.53 78.09 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.506 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -79.42 -30.06 42.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -34.64 76.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -72.97 -34.97 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.36 -40.74 77.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.304 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -157.19 86.57 2.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.982 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 153.34 78.3 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 0.0 112.101 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.427 ' HB3' ' HB3' ' A' ' 103' ' ' SER . 19.5 Cg_endo -61.35 157.58 39.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.345 2.03 . . . . 0.0 112.229 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.57 143.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.593 ' HA3' HE22 ' A' ' 110' ' ' GLN . . . 70.71 -3.75 11.5 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.751 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 106' ' ' LEU . 9.5 p -157.03 150.5 9.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -139.4 134.54 32.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.562 ' HA3' HD11 ' A' ' 106' ' ' LEU . . . -139.45 119.52 1.7 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.82 150.88 15.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.405 0.145 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.14 116.19 4.61 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 112.267 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -97.59 -86.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.86 -19.81 17.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -81.77 145.74 30.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.38 179.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -56.71 -22.24 15.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.769 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.2 mtp -61.03 -58.98 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -103.78 147.36 27.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.098 0.475 . . . . 0.0 111.26 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -122.23 148.81 44.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.655 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -100.82 107.52 19.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.24 148.39 45.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.539 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.87 126.29 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.65 135.15 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.317 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -109.76 128.05 55.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.91 141.54 24.06 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.75 171.7 11.72 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.385 2.057 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.93 120.7 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.15 10.33 13.97 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.587 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 47' ' ' PRO . 73.0 p -125.17 157.77 66.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.37 0.129 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' HB2' HG11 ' A' ' 141' ' ' VAL . 38.2 Cg_endo -67.07 -1.84 6.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.226 1.951 . . . . 0.0 112.046 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -101.98 -7.86 22.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.857 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.35 -34.27 73.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.07 -2.6 58.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.134 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' HA3' HG13 ' A' ' 145' ' ' VAL . . . -122.0 177.24 16.47 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.754 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -136.8 153.58 50.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.071 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -137.97 153.91 49.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -127.95 151.71 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD22 ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -156.08 153.92 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.8 p -112.65 147.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.337 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' ILE . 4.4 mp -119.11 112.78 39.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -99.64 124.47 44.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.15 145.78 28.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.0 p -98.0 140.54 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.516 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.01 1.38 9.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.19 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.75 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.595 ' HB2' ' HG2' ' A' ' 66' ' ' LYS . 66.5 m-85 -148.68 152.53 37.91 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.703 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HG3' ' HA ' ' A' ' 5' ' ' ALA . 15.5 Cg_exo -68.16 -8.36 22.57 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.7 2.267 . . . . 0.0 112.881 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -105.56 -5.01 20.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.595 ' HG2' ' HB2' ' A' ' 63' ' ' TYR . 32.2 mmtp -72.68 149.86 90.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.847 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.18 111.54 0.81 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.624 2.216 . . . . 0.0 112.444 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.5 -176.72 0.34 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.422 2.081 . . . . 0.0 112.395 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.8 m -131.15 116.17 17.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 62.1 t -137.39 142.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.136 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -168.14 143.07 3.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -71.78 120.99 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.56 -29.38 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.408 . . . . 0.0 110.265 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.4 p -84.5 169.61 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.765 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -78.39 122.58 25.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.61 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.53 163.7 32.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.474 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -142.08 114.47 8.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.429 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -124.26 156.64 66.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.28 -15.45 49.63 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.512 2.142 . . . . 0.0 112.302 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.61 HD22 ' HB3' ' A' ' 88' ' ' CYS . 2.0 p-10 -147.64 118.26 7.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' N ' ' HB3' ' A' ' 122' ' ' ALA . 12.2 p -154.97 150.42 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.667 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -86.14 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.799 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.71 -15.61 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.672 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.63 49.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.6 t -81.36 151.1 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.313 . . . . 0.0 110.793 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp -76.65 133.31 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.61 ' HB3' HD22 ' A' ' 80' ' ' ASN . 54.1 t -78.19 106.59 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HB3' HG22 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -148.39 141.36 24.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.604 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.07 -15.73 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.454 HG22 ' HB3' ' A' ' 89' ' ' LEU . 19.7 tt -72.3 -30.72 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.137 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.8 mt -75.06 -7.15 52.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -80.78 -162.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -67.25 -4.91 11.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -78.94 -13.5 59.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.105 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 91' ' ' ILE . 62.7 t-105 -58.95 143.45 48.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.854 0.359 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 m -134.45 147.26 62.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.789 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.06 -2.54 12.17 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.245 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 67.1 p -75.08 -37.55 61.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.303 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.62 169.28 11.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -120.63 -174.15 2.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.32 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.428 HG23 ' HB3' ' A' ' 12' ' ' ASP . 87.1 t -63.08 -26.24 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.177 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 21' ' ' PRO . 50.4 m -69.78 -32.2 70.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 t -63.97 -51.87 62.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.748 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -33.44 57.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.316 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.562 HD11 ' HA3' ' A' ' 26' ' ' GLY . 63.5 mt -67.36 -50.22 60.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 111.079 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.1 p -64.09 -27.46 69.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.7 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.5 p -62.5 -47.82 82.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.49 -39.19 80.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.593 HE22 ' HA3' ' A' ' 23' ' ' GLY . 53.6 tt0 -58.3 -40.0 80.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.6 t -71.67 -29.35 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 112' ' ' LEU . 2.4 tm? -55.31 -34.31 64.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.583 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.58 -42.61 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.767 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.86 -33.62 73.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.045 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -105.57 94.38 8.48 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.918 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -61.88 -17.1 53.6 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.456 2.104 . . . . 0.0 112.337 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.619 HD22 ' H ' ' A' ' 119' ' ' ASN . 0.2 OUTLIER -124.38 103.66 32.2 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.765 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.66 22.92 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.655 2.237 . . . . 0.0 112.023 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.619 ' H ' HD22 ' A' ' 117' ' ' ASN . 2.6 t-20 62.76 11.63 5.06 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.915 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.2 t -166.66 84.85 0.89 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.21 154.37 61.81 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.518 2.145 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 81' ' ' VAL . . . -112.21 -25.55 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.7 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -116.77 105.3 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.783 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -66.78 -36.64 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.298 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.9 -47.27 84.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.45 54.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.28 75.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.302 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -57.44 -45.33 84.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.235 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.56 -27.2 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.305 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -66.14 -36.38 82.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.429 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -95.86 -11.69 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.174 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -96.7 -73.89 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.928 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -123.44 100.75 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.38 -38.5 91.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -57.66 -42.56 83.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.19 -35.21 76.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -67.43 -47.56 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -57.64 -41.52 81.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.29 -30.57 70.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.962 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -76.17 -31.81 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 47' ' ' PRO . 59.8 t -71.66 -48.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 79.9 p -62.6 -30.22 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.28 -55.66 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.712 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 47.3 pt -60.12 -32.36 50.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.767 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.437 HG13 ' HA3' ' A' ' 51' ' ' GLY . 54.8 t -71.56 -46.39 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.98 -32.6 73.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.317 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.75 -38.47 73.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.0 t -101.5 15.41 28.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.68 168.7 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.657 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.14 112.51 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.87 -50.76 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.754 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.873 179.901 . . . . . . . . 0 0 . 1 stop_ save_